⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL12003766 | 1.00 | — | — | |
| Propionic Acid SCHEMBL25381092 | 1.00 | FFAR3 (0.83) | — | |
| Benzene SCHEMBL28724902 | 0.93 | FFAR3 (0.71) | — | |
| Propionic Acid SCHEMBL9937080 | 0.92 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL31322024 | 0.92 | — | — | |
| Propionic Acid SCHEMBL6844346 | 0.92 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL5692131 | 0.92 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL6759866 | 0.92 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL3982573 | 0.92 | — | — | |
| Propionic Acid SCHEMBL19409 | 0.91 | FFAR3 (1.00) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117920173-A | Carrier and preparation method thereof, catalyst and preparation method and application thereof, and methyl acrylate hydrogenation method | 中国石油化工股份有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-110099889-A | It is purified via the acrylic acid of dividing wall column | 伊士曼化工公司 | 2019-08-06 | — | — | CN | disclosed |
| US-6348638-B1 | COMBUSTING GASEOUS LOW-BOILING SECONDARY COMPONENT IN COMBUSTION STAGE, FEEDING AQUEOUS SOLUTION OF LOW- OR MEDIUM-BOILING SECONDARY COMPONENT TO COMBUSTION STAGE | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-19 | — | — | US | disclosed |