⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28805653 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL1518812 | 0.68 | APLNR (0.34) | — | |
| SCHEMBL14706508 | 0.68 | CYP2D6 (0.34) | — | |
| SCHEMBL8601535 | 0.65 | — | — | |
| SCHEMBL4633892 | 0.64 | — | — | |
| SCHEMBL28474821 | 0.63 | — | — | |
| SCHEMBL12385235 | 0.62 | GAA (0.44) | — | |
| SCHEMBL5500433 | 0.61 | ALDH1A1 (0.63) | — | |
| SCHEMBL853282 | 0.61 | — | — | |
| SCHEMBL10814578 | 0.60 | LMNA (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0769036-A1 | SOFT THERMOPLASTIC ELASTOMERS HAVING IMPROVED RESISTANCE TO OIL SWELL AND COMPRESSION SET | Advanced Elastomer Systems, L.P. (US) | 1997-04-23 | — | — | EP | disclosed |
| US-5376712-A | Retention of flexural modulus | THE UNIVERSITY OF AKRON (US) | 1994-12-27 | — | — | US | disclosed |
| US-4942906-A | FOR FUEL TRANSPORTATION | TOKAI RUBBER INDUSTRIES, LTD. (JP) | 1990-07-24 | — | — | US | disclosed |
| EP-0276957-A2 | Vinylidene fluoride-acrylic acid ester copolymer, process for producing the same and composition containing the same | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1988-08-03 | — | — | EP | disclosed |