⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10755470 | 0.82 | — | — | |
| SCHEMBL11340690 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL10655419 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL9865006 | 0.66 | — | — | |
| SCHEMBL10655385 | 0.65 | — | — | |
| SCHEMBL678343 | 0.64 | — | — | |
| SCHEMBL7664678 | 0.64 | — | — | |
| SCHEMBL28688969 | 0.64 | — | — | |
| SCHEMBL28683358 | 0.64 | — | — | |
| SCHEMBL10535005 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4665186-A | 2,2,4,4-tetrasubstituted 4-formylbutyronitrile intermediates for the production of trisubstituted pyridines | CIBA-GEIGY CORPORATION (US) | 1987-05-12 | — | — | US | disclosed |
| EP-0046735-B1 | PROCESS FOR THE PREPARATION OF CHLOROPYRIDINES SUBSTITUTED WITH METHYL OR TRIFLUOROMETHYL GROUPS | CIBA-GEIGY AG (CH) | 1984-12-12 | — | — | EP | disclosed |
| US-4469896-A | Process for the production of chloropyridines substituted by methyl, trichloromethyl or trifluoromethyl groups | CIBA-GEIGY CORPORATION (US) | 1984-09-04 | — | — | US | disclosed |
| EP-0113467-A2 | 2,2-Dichloro-3,3,3-trifluoropropion aldehyde, and process for its preparation | CIBA-GEIGY AG (CH) | 1984-07-18 | — | — | EP | disclosed |
| EP-0046735-A2 | Process for the preparation of chloropyridines substituted with methyl or trifluoromethyl groups | CIBA-GEIGY AG (CH) | 1982-03-03 | — | — | EP | disclosed |