⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11114845 | 0.70 | — | — | |
| SCHEMBL578074 | 0.70 | — | — | |
| SCHEMBL635282 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6375506 | 0.68 | — | — | |
| SCHEMBL1394753 | 0.67 | — | — | |
| SCHEMBL10353184 | 0.65 | — | — | |
| SCHEMBL14963100 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL4897293 | 0.61 | — | — | |
| SCHEMBL1101946 | 0.61 | — | — | |
| SCHEMBL1101658 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230323317-A1 | NOVEL HYDROLASE AND METHOD FOR PRODUCING (1S,2S)-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE CARBOXYLIC ACID USING SAME | API CORPORATION (JP) | 2023-10-12 | — | — | US | disclosed |