⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13130521 | 0.95 | — | — | |
| SCHEMBL7219901 | 0.95 | — | — | |
| SCHEMBL19030636 | 0.95 | ALDH1A1 (0.46) | — | |
| SCHEMBL7376 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3886891 | 0.91 | — | — | |
| SCHEMBL31406917 | 0.91 | ALDH1A1 (0.42) | — | |
| SCHEMBL7639307 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL6901545 | 0.91 | — | — | |
| SCHEMBL5456444 | 0.91 | — | — | |
| SCHEMBL31255936 | 0.91 | — | — |
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-20070142667-A1 | Process for preparing(+)-2-(4-chlorophenyl)-3-methyl butanoic acid | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-06-21 | — | — | US | disclosed |
| EP-1583732-A1 | PROCESS FOR PREPARING (+)-2-(4-CHLOROPHENYL)-3-METHYL BUTANOIC ACID | Council of Scientific and Industrial Research (IN) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060850-A1 | PROCESS FOR PREPARING (+)-2-(4-CHLOROPHENYL)-3-METHYL BUTANOIC ACID | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-07-22 | — | — | WO | disclosed |
| US-4732898-A | HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1988-03-22 | — | — | US | disclosed |