⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4462644 | 0.72 | ALOX15 (0.32) | — | |
| SCHEMBL10385425 | 0.68 | MCL1 (0.33) | — | |
| SCHEMBL27511541 | 0.67 | CYP19A1 (0.44) | — | |
| SCHEMBL1114566 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL5354726 | 0.62 | NAAA (0.42) | — | |
| SCHEMBL5348431 | 0.62 | NAAA (0.46) | — | |
| Cyclopentane SCHEMBL29109135 | 0.62 | MCL1 (0.42) | — | |
| Cyclohexene SCHEMBL31399219 | 0.61 | MCL1 (0.37) | — | |
| SCHEMBL9222274 | 0.61 | MCL1 (0.33) | — | |
| SCHEMBL5357978 | 0.61 | CYP2C19 (0.49) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040171787-A1 | Novel aromatic polysulfide and an asphalt composition containing the same | SHIM KYUNG-SUP (KR) | 2004-09-02 | — | — | US | disclosed |
| US-6727299-B1 | ADHESIVENESS TO AGGREGATES; WATERPROOFING, DURABILITY; PAVING | MARKPRO COMPANY, LIMITED (KR) | 2004-04-27 | — | — | US | disclosed |
| WO-2001019724-A2 | A NOVEL AROMATIC POLYSULFIDE AND AN ASPHALT COMPOSITION CONTAINING THE SAME | SHIM KYUNG SUP (KR) | 2001-03-22 | — | — | WO | disclosed |
| EP-0376565-A3 | ULTRAVIOLET RADIATION ABSORBING CYCLOHEXENYLIDENE CYANOACETATE ESTER AND AMIDE COMPOSITIONS | ICI AMERICAS INC. (US) | 1991-12-27 | — | — | EP | disclosed |
| EP-0376565-A2 | Ultraviolet radiation absorbing cyclohexenylidene cyanoacetate ester and amide compositions | ICI AMERICAS INC. (US) | 1990-07-04 | — | — | EP | disclosed |
| EP-0376565-A2 | Ultraviolet radiation absorbing cyclohexenylidene cyanoacetate ester and amide compositions | ICI AMERICAS INC. (US) | 1990-07-04 | — | — | EP | disclosed |
| EP-0376565-A2 | Ultraviolet radiation absorbing cyclohexenylidene cyanoacetate ester and amide compositions | ICI AMERICAS INC. (US) | 1990-07-04 | — | — | EP | disclosed |
| US-4891212-A | SUNSCREEN AGENTS | ICI AMERICAS INC. (US) | 1990-01-02 | — | — | US | disclosed |
| US-4891212-A | SUNSCREEN AGENTS | ICI AMERICAS INC. (US) | 1990-01-02 | — | — | US | disclosed |
| US-4891212-A | SUNSCREEN AGENTS | ICI AMERICAS INC. (US) | 1990-01-02 | — | — | US | disclosed |