⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21085910 | 0.77 | DRD1 (0.37) | — | |
| SCHEMBL14111834 | 0.71 | CYP2B6 (0.31) | — | |
| SCHEMBL19383994 | 0.66 | — | — | |
| SCHEMBL8112997 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL7666611 | 0.63 | SIGMAR1 (0.31) | — | |
| SCHEMBL7600 | 0.60 | — | — | |
| SCHEMBL3991516 | 0.60 | CYP2A6 (0.31) | — | |
| SCHEMBL12430552 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL22422331 | 0.57 | QDPR (0.31) | — | |
| SCHEMBL21728106 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5852190-A | Diazepinoindoles as phosphodiesterase IV inhibitors | INSTITUT DE RECHERCHE JOUVEINAL SA (FR) | 1998-12-22 | — | — | US | disclosed |