⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17541606 | 0.73 | — | — | |
| SCHEMBL548609 | 0.71 | — | — | |
| SCHEMBL28079712 | 0.71 | — | — | |
| SCHEMBL27630223 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL10644505 | 0.68 | — | — | |
| SCHEMBL15332214 | 0.67 | KMT2A (0.38) | — | |
| SCHEMBL3986195 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL12388092 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL1206354 | 0.67 | — | — | |
| SCHEMBL31532376 | 0.67 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107531660-A | α cinnamide compounds and composition as HDAC8 inhibitor | 福马治疗股份有限公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-104910176-A | Coumarin azole compound and preparation method therefor and application thereof | UNIV SOUTHWEST | 2015-09-16 | — | — | CN | disclosed |