⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7894553 | 0.92 | TSHR (0.39) | — | |
| SCHEMBL7906033 | 0.90 | TSHR (0.37) | — | |
| SCHEMBL197323 | 0.86 | — | — | |
| SCHEMBL13937394 | 0.85 | — | — | |
| SCHEMBL28073293 | 0.78 | — | — | |
| SCHEMBL11589379 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL27603690 | 0.77 | — | — | |
| SCHEMBL6591516 | 0.76 | — | — | |
| SCHEMBL9886046 | 0.76 | — | — | |
| SCHEMBL18215044 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197867-B1 | DINITRILE PROCESSING AIDS | THE GOODYEAR TIRE & RUBBER COMPANY | 2001-03-06 | — | — | US | claimed |
| EP-0216672-B1 | MIXTURE OF NEMATIC LIQUID CRYSTALS CONTAINING A 1-(ALKYL CYCLOHEXYL)-2-(ALKYL FLUORO BISPHENYLYL) ETHANE | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 1991-01-16 | — | — | EP | claimed |
| EP-0216672-A1 | Mixture of nematic liquid crystals containing a 1-(alkyl cyclohexyl)-2-(alkyl fluoro bisphenylyl) ethane | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 1987-04-01 | — | — | EP | claimed |
| US-6197867-B1 | DINITRILE PROCESSING AIDS | THE GOODYEAR TIRE & RUBBER COMPANY | 2001-03-06 | — | — | US | disclosed |
| EP-0965613-A1 | Rubber compositions containing organo-nitriles | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1999-12-22 | — | — | EP | disclosed |
| US-4133937-A | Fibers coated with triozine polymers | TEXACO INC. (US) | 1979-01-09 | — | — | US | disclosed |
| US-4125513-A | Thermoplastic compositions containing triazine polymer coated reinforcing agents | TEXACO INC. (US) | 1978-11-14 | — | — | US | disclosed |
| US-4100147-A | Polymerization of aliphatic nitriles | TEXACO INC. (US) | 1978-07-11 | — | — | US | disclosed |