⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1251582 | 0.73 | — | — | |
| SCHEMBL10029474 | 0.71 | — | — | |
| SCHEMBL5381592 | 0.67 | — | — | |
| SCHEMBL5393331 | 0.67 | — | — | |
| SCHEMBL28537278 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL9843489 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL9843490 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL93549 | 0.65 | — | — | |
| SCHEMBL6671111 | 0.65 | — | — | |
| Propionaldehyde SCHEMBL12474993 | 0.62 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1642600-A | 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines | PROCTER & GAMBLE (US) | 2005-07-20 | — | — | CN | claimed |
| US-20140018377-A1 | Aminopropenoates as Fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| US-8476197-B2 | Aminopropenoates as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-07-02 | — | — | US | disclosed |
| US-20110152322-A1 | Aminopropenoates as Fungicides | BAYER CROPSCIENCE AG (DE) | 2011-06-23 | — | — | US | disclosed |