⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20047589 | 0.73 | — | — | |
| SCHEMBL19662354 | 0.69 | — | — | |
| SCHEMBL7279241 | 0.67 | — | — | |
| SCHEMBL29133310 | 0.65 | — | — | |
| SCHEMBL579123 | 0.62 | — | — | |
| SCHEMBL1320186 | 0.62 | — | — | |
| SCHEMBL1361122 | 0.62 | TSHR (0.30) | — | |
| SCHEMBL506181 | 0.59 | — | — | |
| SCHEMBL16671677 | 0.59 | — | — | |
| SCHEMBL10151244 | 0.59 | — | — |
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-6274610-B1 | APPLYING COMPOUNDS SUCH AS 2-(1-CHLORO-CYCLOPROPYL)-1-(2-CHLOROPHENYL)-3-(5-(N-METHYL-CAR BAMOYLTHIO)-1,2,4-TRIAZOL-1-YL)-PROPANOL-2-OL TO CROPS TO PREVENT THE GROWTH OF UNDESIRABLE MICROORGANISMS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-14 | — | — | US | disclosed |