⚠ 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 | |
|---|---|---|---|---|
| Calcium Chloride SCHEMBL27344866 | 0.57 | — | — | |
| Calcium Chloride SCHEMBL29249624 | 0.57 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL28855954 | 0.57 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL29392100 | 0.57 | — | — | |
| Calcium Chloride SCHEMBL28983949 | 0.57 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL27496145 | 0.57 | — | — | |
| Calcium Chloride SCHEMBL28681482 | 0.57 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL20242576 | 0.57 | TSHR (0.30) | — | |
| Calcium Chloride SCHEMBL22532692 | 0.57 | — | — | |
| Calcium Chloride SCHEMBL28063381 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070117720-A1 | Compositions with cyclopropenes | AGROFRESH, INC. | 2007-05-24 | — | — | US | disclosed |
| EP-1787513-A2 | Compositions with cyclopropenes | Rohm and Haas Company (US) | 2007-05-23 | — | — | EP | disclosed |