⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL232172 | 0.90 | TPMT (0.32) | — | |
| SCHEMBL9255427 | 0.79 | TDP1 (0.32) | — | |
| SCHEMBL25337505 | 0.79 | — | — | |
| SCHEMBL28685647 | 0.77 | — | — | |
| SCHEMBL1858435 | 0.75 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL623976 | 0.75 | — | — | |
| SCHEMBL11430568 | 0.74 | FFAR3 (0.36) | — | |
| SCHEMBL2296442 | 0.74 | — | — | |
| SCHEMBL14283171 | 0.73 | MAOA (0.33) | — | |
| SCHEMBL765594 | 0.71 | — | — |
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-119912337-A | Methyl cyclopropene benzoic acid probe and preparation method and application thereof | 贵州医科大学 | 2025-05-02 | — | — | CN | disclosed |
| CN-117567266-A | Method for preparing 2-methylcyclopropyl carboxylic acid | 康龙化成手性医药技术(宁波)有限公司 | 2024-02-20 | — | — | CN | disclosed |