⚠ 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27280535 | 0.97 | — | — | |
| Benzonitrile SCHEMBL1404032 | 0.94 | TSHR (0.88) | — | |
| Benzonitrile SCHEMBL28220117 | 0.94 | — | — | |
| Benzonitrile SCHEMBL28431334 | 0.94 | TSHR (0.88) | — | |
| Benzonitrile SCHEMBL11044747 | 0.94 | — | — | |
| Benzonitrile SCHEMBL30929383 | 0.94 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 0.94 | — | — | |
| Benzonitrile SCHEMBL21752925 | 0.94 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.94 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL27793280 | 0.94 | TSHR (1.00) | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2291415-B1 | CATALYSTS FOR PREPARING CIS 1,4-POLYDIENES | BRIDGESTONE CORP (JP) | 2016-07-20 | — | — | EP | disclosed |
| US-8664343-B2 | Catalysts for preparing cis 1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2014-03-04 | — | — | US | disclosed |
| US-20110184137-A1 | CATALYSTS FOR PREPARING CIS 1,4-POLYDIENES | BRIDGESTONE CORPORATION (JP) | 2011-07-28 | — | — | US | disclosed |
| EP-2291415-A2 | CATALYSTS FOR PREPARING CIS 1,4-POLYDIENES | Bridgestone Corporation (JP) | 2011-03-09 | — | — | EP | disclosed |
| US-7820580-B2 | Nickel-based catalysts for preparing high cis 1,4-polydienes | BRIDGESTONE CORPORATION (JP) | 2010-10-26 | — | — | US | disclosed |
| WO-2009155170-A2 | CATALYSTS FOR PREPARING CIS 1,4-POLYDIENES | BRIDGESTONE CORPORATION (JP) | 2009-12-23 | — | — | WO | disclosed |
| US-20090143551-A1 | NICKEL-BASED CATALYSTS FOR PREPARING HIGH CIS 1,4-POLYDIENES | BRIDGESTONE CORPORATION (JP) | 2009-06-04 | — | — | US | disclosed |
| EP-1637549-B1 | Synthesis of CIS-1,4-polybutadiene | GOODYEAR TIRE & RUBBER (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1590382-B1 | IMPROVED TERMINATION AND REDUCED GEL IN HIGH CIS POLYBUTADIENE | FIRESTONE POLYMERS LLC (US) | 2007-11-28 | — | — | EP | disclosed |
| US-7081504-B2 | Synthesis of 1,4-polybutadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-07-25 | — | — | US | disclosed |
| EP-0434596-A2 | High modulus rubber composition | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1991-06-26 | — | — | EP | disclosed |
| US-4983695-A | Catalysis with nickel carboxylate, trialkylaluminum, and hydrogen fluoride ether complex | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1991-01-08 | — | — | US | disclosed |
| EP-0336874-A1 | Inverse phase polymerization | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1989-10-11 | — | — | EP | disclosed |
| EP-0236253-A1 | Process for bulk polymerizing butadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1987-09-09 | — | — | EP | disclosed |
| EP-0093073-A1 | Molecular weight control of polybutadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-11-02 | — | — | EP | disclosed |
| US-4383097-A | USING NONCONJUGATED DIOLEFINS HAVING TRANS CONFIGURATION AND A CATALYST OF AN ORGANO ALUMINUM-NICKEL-FLUORINE COMPLEY | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-05-10 | — | — | US | disclosed |
| US-4155880-A | POLYMERIZATION CATALYSTS FOR DIOLEFINS | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1979-05-22 | — | — | US | disclosed |
| US-4102817-A | ORGANOALUMINUM COMPOUND, AN EX | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1978-07-25 | — | — | US | disclosed |
| US-3985677-A | POLYMERIZATION OF BUTADIENE ANDOR BUTADIENE WITH DIOLEFINS WITH HIGH CIS-1,4 ADDITION | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-10-12 | — | — | US | disclosed |
| US-3962375-A | BUTADIENE POLYMERS, ORGANOALUMINUM-ORGANONICKEL-FLUORIDE CATALYST SYSTEM | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-06-08 | — | — | US | disclosed |