⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9165650 | 0.73 | IDO1 (0.46) | — | |
| SCHEMBL5688182 | 0.73 | HTR2A (0.32) | — | |
| SCHEMBL21937667 | 0.73 | IDO1 (0.46) | — | |
| SCHEMBL384149 | 0.73 | IDO1 (0.46) | — | |
| Fluoride SCHEMBL29683041 | 0.72 | IDO1 (0.44) | — | |
| SCHEMBL19459166 | 0.72 | ANPEP (0.35) | — | |
| SCHEMBL318422 | 0.72 | PGR (0.36) | — | |
| SCHEMBL7201200 | 0.71 | IDO1 (0.37) | — | |
| SCHEMBL9387112 | 0.70 | PIN1 (0.36) | — | |
| SCHEMBL6278782 | 0.69 | PIN1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009109999-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |
| US-4751222-A | 2,3,4,5-tetrahydro-1H-3-benzazepines and CNS affecting use thereof | NOVO INDUSTRI A/S (DK) | 1988-06-14 | — | — | US | disclosed |
| EP-0200455-A2 | 2,3,4,5-tetrahydro-1H-3-benzazepines substituted in position 5 | NOVO NORDISK A/S (DK) | 1986-11-05 | — | — | EP | disclosed |