⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1629346 | 0.80 | — | — | |
| SCHEMBL2639556 | 0.79 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL25340342 | 0.78 | ALOX15 (0.33) | — | |
| SCHEMBL14795082 | 0.73 | HMGCR (0.31) | — | |
| SCHEMBL6570285 | 0.73 | — | — | |
| SCHEMBL2170581 | 0.71 | LMNA (0.39) | — | |
| SCHEMBL17652004 | 0.71 | LMNA (0.39) | — | |
| Hydrochloric Acid SCHEMBL27362578 | 0.71 | NOS2 (0.30) | — | |
| SCHEMBL27939409 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL6344934 | 0.68 | GAA (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | claimed |
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | disclosed |