⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21027475 | 0.81 | CES2 (0.41) | — | |
| SCHEMBL20408301 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL7116355 | 0.78 | HSD17B10 (0.44) | — | |
| SCHEMBL4797472 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL8466765 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL11399369 | 0.71 | — | — | |
| SCHEMBL1017840 | 0.69 | — | — | |
| SCHEMBL19334764 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL1013384 | 0.68 | CES2 (0.30) | — | |
| SCHEMBL55800 | 0.67 | — | — |
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-9907778-B2 | Anticancer agent comprising aminoacetonitrile compound as active ingredient | PITNEY PHARMACEUTICALS PTY LIMITED (AU) | 2018-03-06 | — | — | US | disclosed |