⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11575966 | 0.81 | — | — | |
| SCHEMBL2159347 | 0.78 | — | — | |
| SCHEMBL11516509 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL5861742 | 0.75 | — | — | |
| Water SCHEMBL20546734 | 0.75 | — | — | |
| SCHEMBL1457226 | 0.73 | — | — | |
| SCHEMBL18071020 | 0.73 | — | — | |
| SCHEMBL11725437 | 0.73 | — | — | |
| SCHEMBL3679166 | 0.71 | — | — | |
| SCHEMBL434777 | 0.71 | LDHA (0.42) | — |
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-105753678-A | Process for preparing difluoro chloroacetone | 南通宝凯化工有限公司 | 2016-07-13 | — | — | CN | disclosed |
| US-7002043-B2 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2006-02-21 | — | — | US | disclosed |
| US-20040034254-A1 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-02-19 | — | — | US | disclosed |