⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385777 | 0.80 | — | — | |
| SCHEMBL12669506 | 0.75 | — | — | |
| SCHEMBL27244470 | 0.75 | — | — | |
| SCHEMBL1252971 | 0.71 | — | — | |
| SCHEMBL10120939 | 0.69 | — | — | |
| SCHEMBL1133793 | 0.69 | — | — | |
| SCHEMBL9610265 | 0.69 | — | — | |
| SCHEMBL27842659 | 0.69 | — | — | |
| SCHEMBL25736951 | 0.69 | — | — | |
| SCHEMBL3994519 | 0.67 | THRB (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0686636-B1 | TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | MEIJI SEIKA CO (JP) | 2001-04-04 | — | — | EP | disclosed |
| US-5840895-A | INTERMEDIATES FOR ANTIALLERGENS | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1998-11-24 | — | — | US | disclosed |
| US-5686442-A | ANTIALLERGENS | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0686636-A1 | TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1995-12-13 | — | — | EP | disclosed |