⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4904117 | 1.00 | — | — | |
| SCHEMBL14828404 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL18249041 | 0.97 | — | — | |
| SCHEMBL21276522 | 0.92 | EPAS1 (0.42) | — | |
| SCHEMBL3959007 | 0.92 | EPAS1 (0.47) | — | |
| SCHEMBL16878076 | 0.92 | — | — | |
| SCHEMBL14158242 | 0.90 | EPAS1 (0.46) | — | |
| SCHEMBL19541639 | 0.89 | EPAS1 (0.48) | — | |
| SCHEMBL16878031 | 0.89 | — | — | |
| SCHEMBL9834654 | 0.86 | EPAS1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021211549-A1 | KIF18A INHIBITORS FOR TREATMENT OF NEOPLASTIC DISEASES | AMGEN INC. (US) | 2021-10-21 | — | — | WO | disclosed |