⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3462138 | 0.85 | PDE4A (0.33) | — | |
| SCHEMBL22654508 | 0.73 | POLB (0.41) | — | |
| SCHEMBL2982332 | 0.67 | TRPA1 (0.35) | — | |
| SCHEMBL28140203 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL2276496 | 0.67 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14151268 | 0.64 | NOTUM (0.34) | — | |
| SCHEMBL3461087 | 0.64 | — | — | |
| SCHEMBL2819999 | 0.63 | PIM3 (0.31) | — | |
| SCHEMBL403843 | 0.59 | MEN1 (0.32) | — | |
| Acetic Acid SCHEMBL2279356 | 0.58 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7795448-B2 | Imidazoyl-benzamide anti-cancer agents | CYTOKINETICS, INCORPORATED (US) | 2010-09-14 | — | — | US | claimed |