⚠ 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL2563289 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL8148389 | 0.94 | ALDH1A1 (0.88) | — | |
| Benzaldehyde SCHEMBL28308064 | 0.94 | — | — | |
| Benzaldehyde SCHEMBL27460636 | 0.94 | ALDH1A1 (0.88) | — | |
| Benzaldehyde SCHEMBL10051945 | 0.94 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL573 | 0.94 | — | — | |
| Benzaldehyde SCHEMBL6061133 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL22400699 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL9236967 | 0.94 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980878-A1 | Molecular weight regulation of cis-1,4-polybutadiene using carboxylates | Bridgestone Corporation (JP) | 2000-02-23 | — | — | EP | disclosed |
| US-5955553-A | Molecular weight regulation of cis-1,4-polybutadiene using carboxylates | BRIDGESTONE CORPORATION (US) | 1999-09-21 | — | — | US | disclosed |
| US-5698643-A | USING COORDINATION CATALYST; TIRES | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1997-12-16 | — | — | US | 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-0093075-B1 | PREPARATION OF HIGH CIS-1,4-POLYBUTADIENE | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1986-12-30 | — | — | EP | disclosed |
| EP-0093073-A1 | Molecular weight control of polybutadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-11-02 | — | — | EP | disclosed |
| EP-0093075-A1 | Preparation of high cis-1,4-polybutadiene | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1983-11-02 | — | — | EP | disclosed |
| EP-0093074-A1 | Controlling the molecular weight 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 |