⚠ 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 | |
|---|---|---|---|---|
| Dimethyl Sulfoxide SCHEMBL1128520 | 0.81 | — | — | |
| Dimethyl Sulfoxide SCHEMBL8608347 | 0.81 | — | — | |
| Dimethyl Sulfoxide SCHEMBL6470105 | 0.79 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9236588 | 0.79 | — | — | |
| Chloromethane SCHEMBL6905936 | 0.76 | — | — | |
| SCHEMBL1736341 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.76 | — | — | |
| SCHEMBL124190 | 0.76 | — | — | |
| SCHEMBL9694495 | 0.72 | — | — | |
| SCHEMBL7628923 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040077725-A1 | Crystalline form of N-(trans-4-isopropylcyclohexane carbonyl)-D-phenylalanine and process for preparation thereof | DR. REDDY'S LABORATORIES LIMITED | 2004-04-22 | — | — | US | disclosed |
| WO-2004020396-A1 | CRYSTALLINE FORM OF NATEGLINIDE AND PROCESS FOR PREPARATION THEREOF | DR. REDDY'S LABORATORIES LIMITED (IN) | 2004-03-11 | — | — | WO | disclosed |
| CN-1312805-A | Benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake | SEARLE & CO (US) | 2001-09-12 | — | — | CN | disclosed |