⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1927521 | 0.79 | — | — | |
| SCHEMBL635227 | 0.63 | — | — | |
| SCHEMBL2590838 | 0.58 | — | — | |
| SCHEMBL16061236 | 0.57 | — | — | |
| SCHEMBL20522901 | 0.57 | — | — | |
| SCHEMBL5752172 | 0.50 | — | — | |
| SCHEMBL16247846 | 0.50 | — | — | |
| SCHEMBL997751 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL1994830 | 0.49 | ADRA1A (0.38) | — | |
| SCHEMBL3309997 | 0.48 | ADRA1A (0.41) | — |
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-7056910-B2 | 1,4,5.6-tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof | ASTELLAS PHARMA INC. (JP) | 2006-06-06 | — | — | US | disclosed |
| US-20040034012-A1 | 1,4,5,6-Tetrahydroimidazo[4,5-d]diazepine derivatives or salts thereof | ASTELLAS PHARMA INC. (JP) | 2004-02-19 | — | — | US | disclosed |
| WO-2002044179-A1 | 1,4,5,6-TETRAHYDROIMIDAZO[4,5-D]DIAZEPINE DERIVATIVES OR SALTS THEREOF | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 2002-06-06 | — | — | WO | disclosed |