⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12125820 | 0.66 | TRPV1 (0.33) | — | |
| SCHEMBL5780941 | 0.64 | DPP4 (0.30) | — | |
| SCHEMBL11179631 | 0.60 | — | — | |
| SCHEMBL15046740 | 0.58 | — | — | |
| SCHEMBL22873508 | 0.55 | — | — | |
| SCHEMBL7119079 | 0.55 | — | — | |
| SCHEMBL3392017 | 0.55 | — | — | |
| SCHEMBL15533248 | 0.55 | — | — | |
| SCHEMBL23579508 | 0.54 | KDM4E (0.33) | — | |
| SCHEMBL14160977 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0562042-A4 | QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES | ABBOTT LAB (US) | 1994-07-06 | — | — | EP | disclosed |
| US-5137892-A | Bactericides | ABBOTT LABORATORIES (US) | 1992-08-11 | — | — | US | disclosed |