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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11693429 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21352356 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL29482291 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL31386984 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL30101200 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28502999 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8027943 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29761429 | 0.82 | — | — | |
| Iodide SCHEMBL52545 | 0.82 | — | — | |
| Iodide SCHEMBL28205179 | 0.82 | CA4 (0.33) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10654952-B2 | Nitrogen titanium complex, catalytic system comprising said nitrogen titanium complex and process for the (co)polymerization of conjugated dienes | VERSALIS S.P.A. (IT) | 2020-05-19 | — | — | 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-20180201702-A1 | NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES | VERSALIS S.P.A. (IT) | 2018-07-19 | — | — | US | disclosed |
| EP-3328870-A1 | NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES | Versalis S.p.A. (IT) | 2018-06-06 | — | — | EP | 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-2017017203-A1 | NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES | VERSALIS S.P.A. (IT) | 2017-02-02 | — | — | WO | 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 |
| US-4338219-A | Catalyst compositions used for copolymerization of isomonoolefins with conjugated dienes | PHILLIPS PETROLEUM COMPANY (US) | 1982-07-06 | — | — | US | disclosed |
| US-4105845-A | NICKEL SOURCE COMPLEX WITH TITANIUM OR VANADIUM COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1978-08-08 | — | — | US | disclosed |