⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7240952 | 0.85 | — | — | |
| SCHEMBL1296 | 0.85 | — | — | |
| SCHEMBL10940023 | 0.85 | — | — | |
| SCHEMBL1331944 | 0.85 | — | — | |
| SCHEMBL14973371 | 0.80 | — | — | |
| SCHEMBL16583875 | 0.80 | — | — | |
| Water SCHEMBL2473448 | 0.80 | — | — | |
| Potassium SCHEMBL8831145 | 0.80 | — | — | |
| Water SCHEMBL7492545 | 0.80 | — | — | |
| Water SCHEMBL2929026 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1116789-B1 | Immobilised enzyme and method for synthesizing an optically active cyanohydrin | NIPPON CATALYTIC CHEM IND (JP) | 2004-09-22 | — | — | EP | disclosed |
| US-6709847-B2 | IMMOBILIZED ENZYME FOR USE IN THE GENERATION OF PREFERENTIAL NITROGEN COMPOUNDS | NIPPON SHOKUBAI CO., LTD. (JP) | 2004-03-23 | — | — | US | disclosed |
| US-20020064840-A1 | Method for synthesizing an optically active cyanohydrin | NIPPON SHOKUBAI CO., LTD. | 2002-05-30 | — | — | US | disclosed |
| EP-1116789-A1 | A method for synthesizing an optically active cyanohydrin | Nippon Shokubai Co., Ltd. (JP) | 2001-07-18 | — | — | EP | disclosed |