⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16151574 | 0.97 | CES2 (0.38) | — | |
| SCHEMBL15489106 | 0.88 | — | — | |
| SCHEMBL24045474 | 0.80 | — | — | |
| SCHEMBL8055073 | 0.77 | GABRA1 (0.41) | — | |
| SCHEMBL22367975 | 0.75 | SLC6A1 (0.48) | — | |
| SCHEMBL23970016 | 0.75 | — | — | |
| SCHEMBL19523734 | 0.75 | NCF1 (0.33) | — | |
| SCHEMBL20204131 | 0.74 | BCHE (0.36) | — | |
| SCHEMBL24550445 | 0.74 | CTSK (0.31) | — | |
| SCHEMBL12197836 | 0.74 | SMN1; SMN2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140194441-A1 | 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF | SAMUMED, LLC (US) | 2014-07-10 | — | — | US | disclosed |
| EP-2010186-B1 | HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2012-12-26 | — | — | EP | disclosed |