⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9631072 | 0.89 | CYP3A4 (0.30) | — | |
| SCHEMBL9630243 | 0.88 | RARB (0.33) | — | |
| SCHEMBL9631641 | 0.88 | RARB (0.38) | — | |
| SCHEMBL9630538 | 0.88 | CYP3A4 (0.31) | — | |
| SCHEMBL9631304 | 0.88 | RARB (0.38) | — | |
| SCHEMBL9631133 | 0.88 | CYP3A4 (0.31) | — | |
| SCHEMBL9632665 | 0.87 | RARB (0.35) | — | |
| SCHEMBL9632544 | 0.87 | RARB (0.39) | — | |
| SCHEMBL9631142 | 0.87 | RARB (0.39) | — | |
| SCHEMBL9630364 | 0.87 | RARB (0.39) | — |
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-0362318-B1 | 2,3-DIFLUOROBIPHENYLS | MERCK PATENT GmbH (DE) | 1993-08-04 | — | — | EP | disclosed |
| US-5204019-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0362318-A1 | 2,3-DIFLUOROBIPHENYLS. | MERCK PATENT GMBH (DE) | 1990-04-11 | — | — | EP | disclosed |
| WO-1989008687-A1 | 2,3-DIFLUOROBIPHENYLS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |