⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12687028 | 1.00 | — | — | |
| SCHEMBL9977687 | 1.00 | — | — | |
| SCHEMBL21129713 | 0.80 | — | — | |
| SCHEMBL23652674 | 0.78 | MRGPRX2 (0.35) | — | |
| SCHEMBL14359584 | 0.77 | NQO1 (0.30) | — | |
| SCHEMBL18773708 | 0.77 | NQO1 (0.30) | — | |
| SCHEMBL18314662 | 0.77 | — | — | |
| SCHEMBL19477680 | 0.77 | — | — | |
| SCHEMBL805439 | 0.76 | — | — | |
| SCHEMBL14981038 | 0.76 | MRGPRX2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1757591-A1 | CINNAMIDE COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-02-28 | — | — | EP | disclosed |