⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30349499 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL28683041 | 0.70 | — | — | |
| SCHEMBL27261830 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL14642117 | 0.65 | ABAT (0.31) | — | |
| SCHEMBL7430513 | 0.64 | — | — | |
| SCHEMBL10734060 | 0.63 | TDP1 (0.32) | — | |
| SCHEMBL19017672 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL4943541 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL1354859 | 0.61 | ABAT (0.31) | — | |
| SCHEMBL9372918 | 0.60 | TDP1 (0.30) | — |
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-2023051761-A1 | PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE | 成都奥睿药业有限公司 | 2023-04-06 | — | — | WO | disclosed |