⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16826983 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL26781834 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL16826981 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL1929622 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL10709760 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL1929624 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL524836 | 0.80 | — | — | |
| SCHEMBL10405713 | 0.80 | — | — | |
| SCHEMBL3866359 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL3866364 | 0.79 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| CN-110016052-B | Phosphoramide derivative of N-deethylsunitinib and preparation method thereof | 四川海思科制药有限公司 | 2021-09-28 | — | — | CN | disclosed |