⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902045 | 0.83 | — | — | |
| SCHEMBL64809 | 0.81 | CES2 (0.31) | — | |
| SCHEMBL1527039 | 0.81 | CES2 (0.34) | — | |
| SCHEMBL332044 | 0.80 | CES2 (0.32) | — | |
| SCHEMBL395315 | 0.80 | — | — | |
| SCHEMBL9172479 | 0.79 | — | — | |
| SCHEMBL2920818 | 0.79 | CES2 (0.31) | — | |
| SCHEMBL3620049 | 0.79 | CES2 (0.31) | — | |
| SCHEMBL10398624 | 0.79 | CES2 (0.31) | — | |
| SCHEMBL5701559 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0279414-B1 | Rubber composition and the use thereof for the production of an oil seal or a rubber hose | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1994-05-04 | — | — | EP | disclosed |
| US-5171787-A | Blends; high strength, heat, cold and oil resistance | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-12-15 | — | — | US | disclosed |
| US-5010137-A | Blend with polyorganohydrogensiloxane, transition metal compound | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1991-04-23 | — | — | US | disclosed |