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 SCHEMBL6813201 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL395339 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL967831 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28900351 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL968771 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7195227 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27505810 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6813392 | 0.66 | CYP2A6 (0.31) | — | |
| Hydrochloric Acid SCHEMBL252475 | 0.65 | — | — | |
| SCHEMBL18622284 | 0.65 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2993207-B1 | RUBBER COMPOSITION AND STYRENE-BASED RESIN COMPOSITION USING SAME | UBE INDUSTRIES (JP) | 2019-05-29 | — | — | EP | disclosed |
| CN-104109251-B | Conjugated diolefin polymer and its manufacture method and the method for preventing conjugated diolefin polymer coloring | 宇部兴产株式会社 | 2017-06-27 | — | — | CN | disclosed |
| US-20160130428-A1 | RUBBER COMPOSITION AND STYRENE RESIN COMPOSITION USING THE SAME | UBE INDUSTRIES, LTD. (JP) | 2016-05-12 | — | — | US | disclosed |
| EP-2993207-A1 | RUBBER COMPOSITION AND STYRENE-BASED RESIN COMPOSITION USING SAME | UBE Industries, Ltd. (JP) | 2016-03-09 | — | — | EP | disclosed |
| CN-105229071-A | Rubber combination and use its styrene resin composite | UBE INDUSTRIES | 2016-01-06 | — | — | CN | disclosed |
| EP-2537870-B1 | POLYBUTADIENE, MODIFIED POLYBUTADIENE, PREPARATION METHODS FOR BOTH, AND RUBBER-REINFORCED STYRENE RESIN COMPOSITION USING SAME | UBE INDUSTRIES (JP) | 2014-12-03 | — | — | EP | disclosed |
| CN-102906128-B | Polybutadiene, modified polybutadiene, preparation methods for both, and rubber-reinforced styrene resin composition using same | UBE INDUSTRIES | 2014-11-26 | — | — | CN | disclosed |
| CN-104109251-A | Conjugated diene polymer, preparation method thereof, and method for preventing conjugated diene polymer from being colored | UBE INDUSTRIES | 2014-10-22 | — | — | CN | disclosed |
| US-8669339-B2 | Polybutadiene, modified polybutadiene, method for producing both, and rubber-reinforced styrene resin composition using same | UBE INDUSTRIES, LTD. (JP) | 2014-03-11 | — | — | US | disclosed |
| CN-102906128-A | Polybutadiene, modified polybutadiene, preparation methods for both, and rubber-reinforced styrene resin composition using same | UBE INDUSTRIES | 2013-01-30 | — | — | CN | disclosed |
| US-20020013436-A1 | Polybutadiene and process for producing the same | UBE INDUSTRIES, LTD. | 2002-01-31 | — | — | US | disclosed |
| CN-1329098-A | Polybutadiene and preparing method thereof | UBE INDUSTRIES (JP) | 2002-01-02 | — | — | CN | disclosed |
| EP-1162231-A2 | Polybutadiene and process for producing the same | Ube Industries, Ltd. (JP) | 2001-12-12 | — | — | EP | 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 |