⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6233876 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7013830 | 0.76 | — | — | |
| SCHEMBL6933560 | 0.65 | — | — | |
| SCHEMBL7383347 | 0.60 | DRD2 (0.31) | — | |
| SCHEMBL9691772 | 0.58 | — | — | |
| SCHEMBL4758533 | 0.58 | — | — | |
| SCHEMBL1919608 | 0.57 | — | — | |
| SCHEMBL28455772 | 0.57 | — | — | |
| SCHEMBL294330 | 0.56 | — | — | |
| SCHEMBL15321448 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1773833-A4 | PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2009-07-22 | — | — | EP | claimed |
| EP-1773833-A2 | PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | claimed |
| WO-2006019940-A2 | PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-23 | — | — | WO | claimed |