⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10771066 | 0.93 | KDM5A (0.39) | — | |
| SCHEMBL2385651 | 0.84 | — | — | |
| SCHEMBL4901803 | 0.83 | KDM4C (0.38) | — | |
| SCHEMBL10769544 | 0.82 | KDM4E (0.34) | — | |
| SCHEMBL2471432 | 0.77 | NPSR1 (0.35) | — | |
| SCHEMBL10774776 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL1850341 | 0.76 | — | — | |
| SCHEMBL5715282 | 0.74 | KDM5A (0.40) | — | |
| SCHEMBL401549 | 0.74 | CHRM2 (0.45) | — | |
| SCHEMBL23568100 | 0.73 | RAB9A (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 |
|---|---|---|---|---|---|---|---|
| US-20080076760-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | WAKAMOTO PHARMACEUTICAL CO., LTD (JP) | 2008-03-27 | — | — | US | disclosed |
| EP-1820799-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | Wakamoto Pharmaceutical Co., Ltd. (JP) | 2007-08-22 | — | — | EP | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |