⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8046665 | 1.00 | — | — | |
| SCHEMBL276565 | 0.81 | — | — | |
| SCHEMBL4577996 | 0.79 | — | — | |
| Valnoctamide SCHEMBL5053817 | 0.79 | CA1 (0.39) | — | |
| Valnoctamide SCHEMBL387435 | 0.79 | CA1 (0.39) | — | |
| SCHEMBL14554782 | 0.79 | — | — | |
| SCHEMBL17457909 | 0.77 | ECE1 (0.40) | — | |
| SCHEMBL8050569 | 0.76 | — | — | |
| SCHEMBL2882157 | 0.76 | — | — | |
| SCHEMBL54113 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10204348-A | — | — | None | — | — | JP | disclosed |
| EP-0991772-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | Biocatalytics, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1998054350-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1998-12-03 | — | — | WO | disclosed |
| US-5834261-A | STEREOSPECIFIC REARRANGEMENT BIOSYNTHESIS BY MICROORGANISM | BIOCATALYTICS, INC. (US) | 1998-11-10 | — | — | US | disclosed |
| JP-H10204348-A | INK-JET INK COMPOSITION | XEROX CORP | 1998-08-04 | — | — | JP | disclosed |