⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4181814 | 0.73 | — | — | |
| SCHEMBL5415498 | 0.73 | — | — | |
| SCHEMBL28609557 | 0.73 | — | — | |
| SCHEMBL27957123 | 0.73 | — | — | |
| Pivalate SCHEMBL10759742 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL9244267 | 0.73 | — | — | |
| Acetic Acid SCHEMBL7438398 | 0.69 | FFAR3 (0.47) | — | |
| Oxalic Acid SCHEMBL919497 | 0.69 | ALOX15 (0.40) | — | |
| Oxalic Acid SCHEMBL10737273 | 0.69 | ALOX15 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL6576795 | 0.69 | ALDH1A1 (0.38) | — |
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-118125936-A | N-acyl ethanolamide derivative, preparation method and application thereof | 南京清普生物科技有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-104470521-B | Neprilysin inhibitors | 施万生物制药研发IP有限责任公司 | 2017-04-12 | — | — | CN | disclosed |