⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8759203 | 0.72 | — | — | |
| SCHEMBL10362132 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL11481771 | 0.68 | GABRR1 (0.33) | — | |
| SCHEMBL11267872 | 0.67 | THRB (0.33) | — | |
| SCHEMBL8759313 | 0.67 | HMGCR (0.39) | — | |
| SCHEMBL10976432 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL10679586 | 0.67 | — | — | |
| SCHEMBL11489484 | 0.66 | CA2 (0.41) | — | |
| SCHEMBL9718534 | 0.65 | — | — | |
| SCHEMBL11488653 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0056154-B1 | PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-3-VINYL-CYCLOPROPANE-CARBOXYLIC ACIDS AND THEIR ESTERS | BAYER AG (DE) | 1984-05-23 | — | — | EP | claimed |
| US-4440955-A | Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters | BAYER AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | claimed |
| US-4987251-A | Process for the preparation of trans-2,2-dimethyl-3-(2,2-dichlorovinyl)-cyclopropanecarboxylic acid | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-22 | — | — | US | disclosed |
| US-4440955-A | Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters | BAYER AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | disclosed |
| US-4423243-A | Process for the preparation of 2,2-dimethyl-3-vinyl-cyclopropanecarboxylic acids and esters | BAYER AKTIENGESELLSCHAFT (DE) | 1983-12-27 | — | — | US | disclosed |