⚠ 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 | |
|---|---|---|---|---|
| Dimethylketone Cyanohydrin SCHEMBL34145 | 0.82 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL27317753 | 0.82 | TDP1 (0.38) | — | |
| Dimethylketone Cyanohydrin SCHEMBL29665840 | 0.82 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL27982437 | 0.78 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL27743725 | 0.78 | — | — | |
| SCHEMBL1527759 | 0.78 | TDP1 (0.35) | — | |
| SCHEMBL9936477 | 0.78 | — | — | |
| SCHEMBL10865481 | 0.75 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL16177662 | 0.75 | — | — | |
| SCHEMBL4009786 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101812805-A | Aqueous fluorine-containing finishing agent and preparation method thereof | TORAY FIBER RES INST CN CO LTD | 2010-08-25 | — | — | CN | claimed |
| EP-0258117-A1 | Process for the preparation of 2,4-diamino-5-benzyl pyrimidines | SANOFI PHARMA SA (CH) | 1988-03-02 | — | — | EP | claimed |
| CN-101812805-A | Aqueous fluorine-containing finishing agent and preparation method thereof | TORAY FIBER RES INST CN CO LTD | 2010-08-25 | — | — | CN | disclosed |
| EP-1120404-B1 | Preparation of hydroxypropionitrile | DSM IP ASSETS BV (NL) | 2005-04-06 | — | — | EP | disclosed |
| EP-1120404-A3 | Preparation of hydroxypropionitrile | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-14 | — | — | EP | disclosed |
| EP-1120404-A2 | Preparation of hydroxypropionitrile | F. HOFFMANN-LA ROCHE AG (CH) | 2001-08-01 | — | — | EP | disclosed |