⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22081677 | 0.83 | — | — | |
| SCHEMBL1168252 | 0.80 | — | — | |
| SCHEMBL10588955 | 0.78 | — | — | |
| SCHEMBL11179593 | 0.76 | — | — | |
| SCHEMBL87565 | 0.76 | — | — | |
| SCHEMBL3500621 | 0.76 | — | — | |
| SCHEMBL3502037 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL31452005 | 0.71 | — | — | |
| SCHEMBL25860578 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL17311935 | 0.70 | — | — |
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-20230212202-A1 | TREATMENT OF MGMT DEFICIENT CANCER WITH 2-FLUOROETHYL-SUBSTITUTED NITROSOUREAS AND OTHER COMPOUNDS | YALE UNIVERSITY | 2023-07-06 | — | — | US | disclosed |