⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1989882 | 0.76 | — | — | |
| SCHEMBL27981240 | 0.76 | — | — | |
| SCHEMBL9386562 | 0.72 | — | — | |
| SCHEMBL4332506 | 0.69 | — | — | |
| SCHEMBL9458735 | 0.69 | — | — | |
| SCHEMBL34468461 | 0.67 | — | — | |
| SCHEMBL28894919 | 0.65 | — | — | |
| SCHEMBL37487 | 0.62 | — | — | |
| SCHEMBL10339407 | 0.62 | — | — | |
| SCHEMBL10354220 | 0.62 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115028521-B | Synthesis method of 2, 2-dichloro-3, 3-trifluoropropanal | 江苏省农用激素工程技术研究中心有限公司 | 2024-02-27 | — | — | CN | disclosed |