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 | |
|---|---|---|---|---|
| SCHEMBL15410573 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7196410 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL2351766 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL394718 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL970524 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL5898863 | 0.69 | — | — | |
| SCHEMBL10494689 | 0.69 | — | — | |
| SCHEMBL12444302 | 0.69 | — | — | |
| SCHEMBL9144920 | 0.67 | — | — | |
| SCHEMBL9145237 | 0.67 | — | — |
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 23 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 |
| 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 |
| 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 |
| 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 |
| EP-2537870-A1 | POLYBUTADIENE, MODIFIED POLYBUTADIENE, PREPARATION METHODS FOR BOTH, AND RUBBER-REINFORCED STYRENE RESIN COMPOSITION USING SAME | Ube Industries, Ltd. (JP) | 2012-12-26 | — | — | EP | disclosed |
| US-20120309902-A1 | Polybutadiene, Modified Polybutadiene, Method for Producing Both, and Rubber-Reinforced Styrene Resin Composition Using Same | UBE INDUSTRIES, LTD. (JP) | 2012-12-06 | — | — | US | disclosed |
| EP-1162231-B1 | Polybutadiene and process for producing the same | UBE INDUSTRIES (JP) | 2011-06-22 | — | — | EP | 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 |
| EP-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |
| US-6664347-B2 | Polybutadiene having high-cis and low-trans structure is obtained by modifying polybutadiene having a 5% toluene solution viscosity at 25 degrees C, Mooney viscosity at 100 degrees C in presence of transition metal catalyst | UBE INDUSTRIES, LTD. (JP) | 2003-12-16 | — | — | US | disclosed |
| US-20030045657-A1 | Polybutadiene and process for producing the same | UBE INDUSTRIES, LTD. (JP) | 2003-03-06 | — | — | US | disclosed |
| US-6521726-B1 | Method of producing a polymer | UBE INDUSTRIES, LTD. (JP) | 2003-02-18 | — | — | US | disclosed |
| EP-1249457-A2 | Method of producing a polymer | Ube Industries, Ltd. (JP) | 2002-10-16 | — | — | EP | disclosed |
| US-20020077433-A1 | Catalyst system for the polymerization of dienes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | US | disclosed |
| US-20020013436-A1 | Polybutadiene and process for producing the same | UBE INDUSTRIES, LTD. | 2002-01-31 | — | — | US | 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-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 |