⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19005653 | 0.73 | HTR2A (0.31) | — | |
| SCHEMBL19005662 | 0.69 | CYP17A1 (0.35) | — | |
| SCHEMBL24146813 | 0.69 | — | — | |
| SCHEMBL15807962 | 0.69 | — | — | |
| SCHEMBL30892164 | 0.65 | — | — | |
| SCHEMBL9201196 | 0.65 | — | — | |
| SCHEMBL29215649 | 0.65 | — | — | |
| SCHEMBL21945204 | 0.65 | — | — | |
| SCHEMBL19220304 | 0.65 | — | — | |
| SCHEMBL17145125 | 0.65 | — | — |
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-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |