⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9866378 | 0.91 | — | — | |
| SCHEMBL1358988 | 0.91 | — | — | |
| Methane SCHEMBL27750317 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27511190 | 0.87 | — | — | |
| Bromide SCHEMBL29099895 | 0.87 | — | — | |
| SCHEMBL11592086 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11147274 | 0.87 | — | — | |
| SCHEMBL20184114 | 0.87 | — | — | |
| Acetic Acid SCHEMBL28198119 | 0.80 | — | — | |
| Acetic Acid SCHEMBL29111161 | 0.77 | FFAR3 (0.50) | — |
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-105452395-B | Aqueous cleaning composition comprising alkyl 3-hydroxybutyrate | 伊士曼化工公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-105452395-A | Aqueous cleaning composition comprising alkyl 3-hydroxybutyrate | EASTMAN CHEM CO | 2016-03-30 | — | — | CN | disclosed |