⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18837374 | 1.00 | — | — | |
| SCHEMBL23570821 | 0.80 | — | — | |
| SCHEMBL18752344 | 0.80 | — | — | |
| SCHEMBL23640760 | 0.80 | PRKACA (0.32) | — | |
| SCHEMBL24292308 | 0.76 | — | — | |
| SCHEMBL25020012 | 0.76 | — | — | |
| SCHEMBL19400946 | 0.73 | — | — | |
| SCHEMBL20860711 | 0.69 | — | — | |
| SCHEMBL9977680 | 0.67 | — | — | |
| SCHEMBL12206706 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010094647-A1 | NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) | 2010-08-26 | — | — | WO | disclosed |