⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7369099 | 0.62 | — | — | |
| SCHEMBL27893545 | 0.60 | — | — | |
| SCHEMBL7744748 | 0.60 | — | — | |
| SCHEMBL27859733 | 0.59 | — | — | |
| SCHEMBL3836425 | 0.57 | APLNR (0.30) | — | |
| SCHEMBL27611209 | 0.55 | — | — | |
| SCHEMBL9314144 | 0.53 | MAPK1 (0.41) | — | |
| SCHEMBL9314447 | 0.53 | FFAR3 (0.33) | — | |
| SCHEMBL2119425 | 0.49 | FFAR3 (0.40) | — | |
| Ethane SCHEMBL10381112 | 0.48 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110475776-A | For preventing and treating the tricyclic carboxylic acid amides of arthropod | BAYER CROPSCIENCE AG | 2019-11-19 | — | — | CN | disclosed |
| CN-107074874-B | ERK inhibitor | 伊莱利利公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-107074874-A | Erk inhibitor | 伊莱利利公司 | 2017-08-18 | — | — | CN | disclosed |