⚠ 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 SCHEMBL27092600 | 0.96 | FFAR3 (0.91) | — | |
| Propionic Acid SCHEMBL7030778 | 0.96 | FFAR3 (0.91) | — | |
| Propionic Acid SCHEMBL106817 | 0.96 | — | — | |
| Propionic Acid SCHEMBL465160 | 0.96 | — | — | |
| Propionic Acid SCHEMBL27633131 | 0.92 | — | — | |
| Propionic Acid SCHEMBL29015784 | 0.92 | — | — | |
| Propionic Acid SCHEMBL28253219 | 0.92 | — | — | |
| Propionic Acid SCHEMBL27653621 | 0.92 | — | — | |
| Propionic Acid SCHEMBL28959623 | 0.92 | — | — | |
| Propionic Acid SCHEMBL7088331 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104829465-B | A kind of preparation method of 4- isopropylaminos-n-butyl alcohol | 普济生物科技（台州）有限公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-104829465-A | Method for preparing 4-isopropamide group-1-butanol | SHANGHAI SHIJI BIOLOG TECHNOLOGY CO LTD | 2015-08-12 | — | — | CN | disclosed |