⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179261 | 1.00 | — | — | |
| Bromide SCHEMBL31035612 | 0.96 | CYP2B6 (0.37) | — | |
| SCHEMBL627257 | 0.96 | CYP2B6 (0.42) | — | |
| SCHEMBL1106426 | 0.96 | CYP2B6 (0.42) | — | |
| SCHEMBL23251538 | 0.96 | CYP2B6 (0.37) | — | |
| SCHEMBL24928774 | 0.96 | CYP2B6 (0.42) | — | |
| SCHEMBL24927970 | 0.96 | CYP2B6 (0.42) | — | |
| SCHEMBL23988087 | 0.96 | CYP2B6 (0.42) | — | |
| SCHEMBL24928198 | 0.96 | CYP2B6 (0.42) | — | |
| SCHEMBL24928097 | 0.96 | CYP2B6 (0.42) | — |
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 6 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 |
| US-4727073-A | CEREBOVASCULAR DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1988-02-23 | — | — | US | disclosed |
| US-4698340-A | TREATMENT OF CEREBROVASCULAR DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| EP-0177287-A2 | Pyrimidine derivatives, processes for preparation thereof and composition of the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-04-09 | — | — | EP | disclosed |
| EP-0169712-A2 | New pyrimidine derivatives, processes for preparation thereof and composition containing the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-01-29 | — | — | EP | disclosed |