⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9759085 | 1.00 | — | — | |
| SCHEMBL9759076 | 1.00 | — | — | |
| SCHEMBL9758552 | 0.98 | GNAI3 (0.30) | — | |
| SCHEMBL9758556 | 0.98 | GNAI3 (0.30) | — | |
| SCHEMBL9758548 | 0.98 | GNAI3 (0.30) | — | |
| SCHEMBL9758940 | 0.95 | — | — | |
| SCHEMBL9758952 | 0.95 | — | — | |
| SCHEMBL9758945 | 0.95 | — | — | |
| SCHEMBL9758970 | 0.88 | CYP1A2 (0.33) | — | |
| SCHEMBL9759249 | 0.88 | CYP1A2 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |