⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20156542 | 0.81 | — | — | |
| SCHEMBL25786731 | 0.75 | MME (0.33) | — | |
| SCHEMBL7128995 | 0.73 | — | — | |
| SCHEMBL15001431 | 0.71 | — | — | |
| Bromide SCHEMBL6441269 | 0.70 | EPHX1 (0.32) | — | |
| SCHEMBL27741990 | 0.68 | — | — | |
| SCHEMBL1441521 | 0.67 | — | — | |
| SCHEMBL1271144 | 0.67 | — | — | |
| SCHEMBL1291122 | 0.67 | — | — | |
| SCHEMBL28582500 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |