⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17150405 | 1.00 | — | — | |
| SCHEMBL18689501 | 0.93 | — | — | |
| SCHEMBL17614840 | 0.85 | LIPA (0.30) | — | |
| SCHEMBL8941536 | 0.83 | TLR4 (0.36) | — | |
| SCHEMBL9313276 | 0.83 | — | — | |
| SCHEMBL9314822 | 0.83 | TLR4 (0.36) | — | |
| SCHEMBL9313545 | 0.80 | — | — | |
| SCHEMBL9313327 | 0.79 | CYP1A2 (0.48) | — | |
| SCHEMBL17147738 | 0.78 | CYP1A2 (0.42) | — | |
| SCHEMBL9313882 | 0.78 | DAO (0.36) | — |
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-0425622-B1 | MESOGENIC COMPOUNDS | MERCK PATENT GMBH (DE) | 1994-10-12 | — | — | EP | disclosed |
| US-5308537-A | Unsaturated liquid crystal compounds containing trifluoromethyl groups | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-05-03 | — | — | US | disclosed |
| WO-1990013610-A1 | MESOGENIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-11-15 | — | — | WO | disclosed |