⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15190357 | 0.65 | — | — | |
| SCHEMBL577443 | 0.64 | — | — | |
| SCHEMBL2752204 | 0.61 | — | — | |
| SCHEMBL16833950 | 0.60 | — | — | |
| SCHEMBL16911872 | 0.60 | — | — | |
| SCHEMBL14721717 | 0.58 | — | — | |
| SCHEMBL2752746 | 0.57 | ALDH1A1 (0.41) | — | |
| SCHEMBL4149594 | 0.55 | — | — | |
| SCHEMBL3113772 | 0.53 | — | — | |
| SCHEMBL42523 | 0.53 | — | — |
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-2012109100-A1 | SUBSTITUTED BENZIMDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2012-08-16 | — | — | WO | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |