⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12351369 | 1.00 | — | — | |
| SCHEMBL12425578 | 0.80 | — | — | |
| SCHEMBL18414273 | 0.79 | — | — | |
| SCHEMBL22078044 | 0.78 | — | — | |
| SCHEMBL14220210 | 0.78 | — | — | |
| SCHEMBL23182678 | 0.78 | — | — | |
| SCHEMBL24218166 | 0.77 | — | — | |
| SCHEMBL14934091 | 0.75 | — | — | |
| SCHEMBL7888020 | 0.75 | — | — | |
| SCHEMBL12806648 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2009133052-A1 | BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-05 | — | — | WO | disclosed |