⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29173251 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL10202773 | 0.78 | RIPK1 (0.31) | — | |
| SCHEMBL16015889 | 0.78 | PDK2 (0.32) | — | |
| SCHEMBL24408666 | 0.76 | — | — | |
| SCHEMBL12290650 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL20002203 | 0.75 | — | — | |
| SCHEMBL16015894 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL12298394 | 0.73 | CNR2 (0.30) | — | |
| SCHEMBL16015899 | 0.72 | — | — | |
| SCHEMBL11930045 | 0.72 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2542533-A1 | FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS | Bayer Intellectual Property GmbH (DE) | 2013-01-09 | — | — | EP | claimed |
| WO-2011107504-A1 | FLUOROALKYL-SUBSTITUTED 2-AMIDOBENZIMIDAZOLES AND THE USE THEREOF FOR BOOSTING STRESS TOLERANCE IN PLANTS | BAYER CROPSCIENCE AG (DE) | 2011-09-09 | — | — | WO | claimed |