⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29168374 | 0.93 | — | — | |
| SCHEMBL28777966 | 0.88 | — | — | |
| SCHEMBL28778000 | 0.80 | — | — | |
| SCHEMBL9628016 | 0.79 | — | — | |
| SCHEMBL18905807 | 0.72 | NPSR1 (0.31) | — | |
| SCHEMBL4304304 | 0.72 | OPRK1 (0.34) | — | |
| SCHEMBL21238187 | 0.72 | — | — | |
| SCHEMBL4304309 | 0.71 | NSD2 (0.30) | — | |
| SCHEMBL28634134 | 0.70 | — | — | |
| SCHEMBL31623216 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112292374-B | Novel phosphoinositide 3-kinase inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-109152363-B | Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules | 美国陶氏益农公司 | 2021-10-15 | — | — | CN | disclosed |
| CN-112292374-A | Novel phosphoinositide 3-kinase inhibitor and preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2021-01-29 | — | — | CN | disclosed |