Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6244900 | 0.92 | — | — | |
| SCHEMBL6809267 | 0.85 | — | — | |
| SCHEMBL6812482 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL967908 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7523333 | 0.79 | — | — | |
| Phenol SCHEMBL6812931 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6812856 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1973493 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL968139 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6817568 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220177500-A1 | PHOSPHINIC VANADIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID PHOSPHINIC VANADIUM COMPLEX AND PROCESS FOR THE (CO) POLYMERIZATION OF CONJUGATED DIENES | VERSALIS S.P.A. (IT) | 2022-06-09 | — | — | US | disclosed |
| EP-3194409-B1 | PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES | VERSALIS SPA (IT) | 2019-09-11 | — | — | EP | disclosed |
| US-10059724-B2 | Pyridine complex of zirconium, catalytic system comprising said pyridine complex of zirconium and process of (co)polymerization of conjugated dienes | VERSALIS S.P.A. (IT) | 2018-08-28 | — | — | US | disclosed |
| US-20170247397-A1 | PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES | VERSALIS S.P.A. (IT) | 2017-08-31 | — | — | US | disclosed |
| EP-3194409-A1 | PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES | Versalis S.p.A. (IT) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016042014-A1 | PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES | VERSALIS S.P.A. (IT) | 2016-03-24 | — | — | WO | disclosed |
| CN-101448861-B | Process for preparing polybutadiene | UBE INDUSTRIES | 2012-04-25 | — | — | CN | disclosed |
| EP-2028196-B1 | METHOD FOR PRODUCING POLYBUTADIENE | UBE INDUSTRIES (JP) | 2011-02-02 | — | — | EP | disclosed |
| US-7868103-B2 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2011-01-11 | — | — | US | disclosed |
| US-20090143548-A1 | Method for producing polybutadiene | UBE INDUSTRIES, LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| EP-0841375-B1 | Impact-resistant polystyrene resin composition | UBE INDUSTRIES (JP) | 2002-05-22 | — | — | EP | disclosed |
| US-6361724-B1 | MELT KNEADING; CARBON DIOXIDE GAS DISSIPATES; | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2002-03-26 | — | — | US | disclosed |
| US-20010034407-A1 | Thermoplastic resin integrated structure | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2001-10-25 | — | — | US | disclosed |
| US-6300450-B1 | Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES, LTD. (JP) | 2001-10-09 | — | — | US | disclosed |
| EP-0778291-B1 | Catalyst and process for producing conjugated diene polymer | UBE INDUSTRIES (JP) | 2001-03-28 | — | — | EP | disclosed |
| US-6071845-A | OBTAINED BY CONTACTING A COMPOUND OF A TRANSITION METAL OF THE GROUP V OF THE PERIODIC TABLE WITH AN IONIC COMPOUND COMPRISING A NON-COORDINATING ANION AND A CATION AND AN ALUMINOXANE | UBE INDUSTRIES, LTD. (JP) | 2000-06-06 | — | — | US | disclosed |
| US-5981667-A | CONTAINING DISPERSED PARTICLES OF HIGH-CIS HIGH-VINYL POLYBUTADIENE COMPRISING FROM 65 TO 95% CIS-1,4-STRUCTURES AND FROM 30 TO 4% 1,2-STRUCTURES | UBE INDUSTRIES, LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0919574-A1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | Ube Industries, Ltd. (JP) | 1999-06-02 | — | — | EP | disclosed |
| EP-0841375-A1 | Impact-resistant polystyrene resin composition | UBE INDUSTRIES, LTD. (JP) | 1998-05-13 | — | — | EP | disclosed |
| EP-0778291-A1 | Catalyst and process for producing conjugated diene polymer | UBE INDUSTRIES, LTD. (JP) | 1997-06-11 | — | — | EP | disclosed |