⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL29047756 | 0.93 | — | — | |
| SCHEMBL196713 | 0.77 | — | — | |
| SCHEMBL1527654 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL12019030 | 0.72 | — | — | |
| SCHEMBL1834108 | 0.72 | — | — | |
| SCHEMBL27835177 | 0.72 | — | — | |
| SCHEMBL7815246 | 0.72 | — | — | |
| SCHEMBL6591628 | 0.72 | — | — | |
| SCHEMBL502745 | 0.72 | — | — | |
| SCHEMBL195729 | 0.72 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0258117-A1 | Process for the preparation of 2,4-diamino-5-benzyl pyrimidines | SANOFI PHARMA SA (CH) | 1988-03-02 | — | — | EP | claimed |
| EP-0097244-B1 | PROCESS FOR THE PREPARATION OF CYANACETALDEHYDE ACETALS | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1986-01-02 | — | — | EP | claimed |
| JP-7233360-A | — | — | None | — | — | JP | disclosed |
| CN-116272944-A | Hydrotalcite-based strong-alkalinity solid catalyst and method for catalyzing alcohol propionitrile alkylation by using same | 常州大学 | 2023-06-23 | — | — | CN | disclosed |
| WO-2017060488-A1 | NEW TRPA1 ANTAGONISTS | ALMIRALL, S.A. (ES) | 2017-04-13 | — | — | WO | disclosed |
| US-8257611-B2 | Optical film and retardation sheet, and liquid crystal compound | FUJIFILM CORPORATION (JP) | 2012-09-04 | — | — | US | disclosed |
| CN-102633680-A | Catalyst for preparing 3,3-diethoxyl propionitrile and preparation method of catalyst | UNIV LANGZHOU | 2012-08-15 | — | — | CN | disclosed |
| US-20100045901-A1 | OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND | FUJIFILM CORPORATION (JP) | 2010-02-25 | — | — | US | 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 |
| JP-H07233360-A | JOINT SHEET | NIPPON VALQUA IND LTD | 1995-09-05 | — | — | JP | disclosed |
| US-4438041-A | FROM A CYANOACETALDEHYDE ACETAL, HYDROXYLAMINE, AND AN ALCOHOL | UBE INDUSTRIES, LTD. (JP) | 1984-03-20 | — | — | US | disclosed |
| EP-0028316-A1 | Process for the preparation of 2,4-diaminopyrimidine | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1981-05-13 | — | — | EP | disclosed |