⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3295069 | 0.97 | — | — | |
| Thiourea SCHEMBL28276604 | 0.84 | CYP1A2 (0.35) | — | |
| Dalfampridine SCHEMBL28091367 | 0.78 | MAPT (0.46) | — | |
| SCHEMBL8526058 | 0.77 | DAO (0.30) | — | |
| SCHEMBL28863955 | 0.77 | — | — | |
| SCHEMBL1345605 | 0.75 | DAO (0.35) | — | |
| SCHEMBL25412191 | 0.73 | HDAC8 (0.32) | — | |
| SCHEMBL1587572 | 0.73 | DAO (0.32) | — | |
| SCHEMBL28914873 | 0.73 | DAO (0.32) | — | |
| SCHEMBL3817972 | 0.72 | FKBP5 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109369538-A | N-difluoromethyl azole thiourea (selenium) derivative and preparation method thereof | 华南农业大学 | 2019-02-22 | — | — | CN | claimed |
| CN-109369538-A | N-difluoromethyl azole thiourea (selenium) derivative and preparation method thereof | 华南农业大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-109369538-A | N-difluoromethyl azole thiourea (selenium) derivative and preparation method thereof | 华南农业大学 | 2019-02-22 | — | — | CN | disclosed |
| CN-109369538-A | N-difluoromethyl azole thiourea (selenium) derivative and preparation method thereof | 华南农业大学 | 2019-02-22 | — | — | CN | disclosed |