⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3683424 | 0.75 | — | — | |
| SCHEMBL27517693 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL3677466 | 0.65 | — | — | |
| SCHEMBL1325078 | 0.61 | — | — | |
| SCHEMBL3115796 | 0.60 | — | — | |
| SCHEMBL1147718 | 0.59 | — | — | |
| SCHEMBL28139296 | 0.55 | — | — | |
| SCHEMBL5642054 | 0.55 | — | — | |
| SCHEMBL28131212 | 0.55 | CA2 (0.33) | — | |
| SCHEMBL30307825 | 0.50 | NPC1 (0.38) | — |
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-108794469-A | A kind of new technique for synthesizing of azole compounds and the purposes of antitumor action | 通化师范学院 | 2018-11-13 | — | — | CN | claimed |
| CN-108794469-A | A kind of new technique for synthesizing of azole compounds and the purposes of antitumor action | 通化师范学院 | 2018-11-13 | — | — | CN | disclosed |
| CN-108135175-A | Bicyclic compounds and their use for inhibition of SUV39H2 | 肿瘤疗法科学股份有限公司 | 2018-06-08 | — | — | CN | disclosed |