⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23803966 | 1.00 | — | — | |
| Bicarbonate SCHEMBL16531348 | 0.87 | APLNR (0.36) | — | |
| SCHEMBL910213 | 0.73 | — | — | |
| SCHEMBL10438151 | 0.73 | — | — | |
| SCHEMBL8083624 | 0.73 | — | — | |
| SCHEMBL7586079 | 0.73 | — | — | |
| SCHEMBL10438135 | 0.73 | — | — | |
| SCHEMBL10688493 | 0.69 | — | — | |
| SCHEMBL15271715 | 0.69 | — | — | |
| SCHEMBL9861195 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005154423-A | METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL)CYCLOPROPANE CARBOXYLIC ACID ESTER | SUMITOMO CHEMICAL CO LTD | 2005-06-16 | — | — | JP | disclosed |