⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17797254 | 0.93 | — | — | |
| SCHEMBL17797198 | 0.85 | KMT2A (0.30) | — | |
| SCHEMBL2469353 | 0.84 | FFAR4 (0.31) | — | |
| SCHEMBL2471013 | 0.84 | TPMT (0.32) | — | |
| SCHEMBL2466384 | 0.83 | ALOX5AP (0.31) | — | |
| SCHEMBL17797238 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL3839002 | 0.82 | TDP1 (0.36) | — | |
| SCHEMBL3454758 | 0.82 | PDCD1LG2 (0.31) | — | |
| SCHEMBL17797219 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL17797241 | 0.80 | TPMT (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2060566-B1 | Poly-substituted aryls | DOW AGROSCIENCES LLC (US) | 2016-06-08 | — | — | EP | claimed |
| EP-2939540-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2939541-A1 | HERBICIDE SAFENER COMBINATION | Bayer Intellectual Property GmbH (DE) | 2015-11-04 | — | — | EP | disclosed |
| EP-2191719-A1 | Herbicide safener combination | Bayer CropScience AG (DE) | 2010-06-02 | — | — | EP | disclosed |