⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3787788 | 0.81 | F2 (0.41) | — | |
| SCHEMBL4321471 | 0.79 | STS (0.39) | — | |
| SCHEMBL20958898 | 0.78 | — | — | |
| SCHEMBL22322654 | 0.78 | — | — | |
| SCHEMBL28964629 | 0.75 | KMT2A (0.45) | — | |
| SCHEMBL1191157 | 0.75 | KMT2A (0.45) | — | |
| SCHEMBL1190778 | 0.75 | KMT2A (0.45) | — | |
| SCHEMBL14714439 | 0.73 | SLC6A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL20168209 | 0.73 | KMT2A (0.40) | — | |
| SCHEMBL22365602 | 0.73 | OPRD1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100216802-A1 | PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER | CHROMA THERAPEUTICS LTD. (GB) | 2010-08-26 | — | — | US | disclosed |