⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4587273 | 1.00 | — | — | |
| SCHEMBL366933 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28311220 | 0.97 | TSHR (0.33) | — | |
| SCHEMBL197040 | 0.83 | — | — | |
| SCHEMBL18215044 | 0.83 | — | — | |
| SCHEMBL7699865 | 0.81 | — | — | |
| SCHEMBL686346 | 0.81 | — | — | |
| SCHEMBL5353586 | 0.79 | GPR84 (0.45) | — | |
| SCHEMBL8845886 | 0.79 | GPR84 (0.45) | — | |
| SCHEMBL5353579 | 0.79 | GPR84 (0.45) | — |
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-5493047-A | REACTING OPTICALLY ACTIVE CYANOHYDRIN WITH CARBOXYLIC ACID IN PRESENCE OF DIALKYL AZODICARBOXYLATE AND TRIPHENYLPHOSPHINE TO FORM ESTER OF OPPOSITE CONFIGURATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1996-02-20 | — | — | US | disclosed |
| US-5329023-A | Method of preparing optically active alcohols which consist substantially or entirely of one enantiomer | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1994-07-12 | — | — | US | disclosed |
| EP-0601237-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |
| EP-0601632-A1 | Method of preparing optically active cyanohydrin derivatives | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-06-15 | — | — | EP | disclosed |
| EP-0322973-A2 | Method of preparing optically active cyanohydrin derivatives and their conversion products, and optically active compounds to be obtained in this manner | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1989-07-05 | — | — | EP | disclosed |