⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19215407 | 1.00 | — | — | |
| SCHEMBL27497160 | 1.00 | — | — | |
| SCHEMBL11655085 | 1.00 | — | — | |
| SCHEMBL18211054 | 0.81 | OR51E2 (0.36) | — | |
| SCHEMBL7527257 | 0.81 | OR51E2 (0.42) | — | |
| SCHEMBL3157032 | 0.78 | GABRP (0.37) | — | |
| SCHEMBL24827776 | 0.77 | — | — | |
| SCHEMBL4572067 | 0.77 | — | — | |
| SCHEMBL10954293 | 0.77 | OR51E2 (0.41) | — | |
| SCHEMBL5371229 | 0.77 | — | — |
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-6207862-B1 | PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, | BIOCATALYTICS, INC. | 2001-03-27 | — | — | US | disclosed |
| WO-1999032649-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1999-07-01 | — | — | WO | disclosed |
| US-5916786-A | Method for the production of chiral 1,3-aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-06-29 | — | — | US | disclosed |