⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28097749 | 0.80 | — | — | |
| SCHEMBL3695200 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL5796976 | 0.73 | — | — | |
| SCHEMBL9176306 | 0.73 | — | — | |
| SCHEMBL30195516 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL9438220 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL330245 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11249687 | 0.71 | NAALAD2 (0.48) | — | |
| SCHEMBL2180506 | 0.71 | — | — | |
| SCHEMBL43375 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4335057-A | 4-(2',2,2'-Trihalogenoethyl)-cyclobutane-1-sulfonic acid salts with optically active bases | CIBA-GEIGY CORPORATION (US) | 1982-06-15 | — | — | US | disclosed |
| US-4322374-A | 2,4,4,4-Tetrahalobutanoic acid halide | CIBA-GEIGY CORPORATION (US) | 1982-03-30 | — | — | US | disclosed |
| US-4299967-A | Process for producing optically active 2-(2,2-dihalogenovinyl)-cyclopropane-1-carboxylic acids substituted in the 3-position, and derivatives thereof, as well as novel 4-(2,2,2-trihalogenoethyl)-cyclobutane-1-sulfonic acid salts | CIBA-GEIGY CORPORATION (US) | 1981-11-10 | — | — | US | disclosed |
| US-4242278-A | Process for the preparation of 2-(2',2',2'-trihalogenoethyl)-4-halogenocyclobutan-1-ones | CIBA-GEIGY CORPORATION (US) | 1980-12-30 | — | — | US | disclosed |