⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4190469 | 0.76 | ALOX5 (0.32) | — | |
| SCHEMBL3077211 | 0.74 | IDO1 (0.30) | — | |
| SCHEMBL365987 | 0.65 | GAA (0.34) | — | |
| SCHEMBL10442401 | 0.64 | — | — | |
| SCHEMBL21383118 | 0.64 | — | — | |
| SCHEMBL24265597 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL31301082 | 0.64 | — | — | |
| SCHEMBL3074983 | 0.64 | IDO1 (0.36) | — | |
| SCHEMBL3074714 | 0.64 | HTR6 (0.30) | — | |
| SCHEMBL3833168 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0837052-B1 | BICYCLIC AMINO DERIVATIVES AND PGD 2 ANTAGONIST CONTAINING THE SAME | SHIONOGI & CO (JP) | 2006-08-23 | — | — | EP | disclosed |
| US-6498190-B1 | TREATMENT OF NASAL OCCLUSION AND MAST CELL DYSFUNCTION DISEASES; ANTIINFLAMMATORY AGENTS | SHIONOGI & CO., LTD. (JP) | 2002-12-24 | — | — | US | disclosed |
| US-6384075-B1 | TREATING DISEASES IN WHICH MAST CELL DYSFUNCTION IS INVOLVED | SHIONOGI & CO., LTD. (JP) | 2002-05-07 | — | — | US | disclosed |
| US-6172113-B1 | Bicyclic amino derivatives and PGD2 antagonist containing the same | SHIONOGI & CO., LTD. (JP) | 2001-01-09 | — | — | US | disclosed |
| EP-0837052-A1 | BICYCLIC AMINO DERIVATIVES AND PGD 2 ANTAGONIST CONTAINING THE SAME | SHIONOGI & CO., LTD. (JP) | 1998-04-22 | — | — | EP | disclosed |