⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24357669 | 0.83 | — | — | |
| SCHEMBL30028589 | 0.83 | — | — | |
| SCHEMBL12551771 | 0.83 | GABRA1 (0.38) | — | |
| SCHEMBL6121258 | 0.81 | KDM1A (0.38) | — | |
| SCHEMBL30758607 | 0.81 | KDM1A (0.38) | — | |
| SCHEMBL24357772 | 0.81 | PDCD1 (0.37) | — | |
| SCHEMBL25299078 | 0.81 | — | — | |
| SCHEMBL22659331 | 0.81 | KDM1A (0.32) | — | |
| SCHEMBL31414091 | 0.81 | — | — | |
| SCHEMBL5156289 | 0.80 | P2RX7 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116615414-A | Substituted 6, 7-dihydro-5H-benzo [7] rotaline compounds and derivatives thereof, method for the production and therapeutic use thereof | 赛诺菲 | 2023-08-18 | — | — | CN | disclosed |
| WO-2022084298-A1 | SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS AND THEIR DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF | SANOFI (FR) | 2022-04-28 | — | — | WO | disclosed |