⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4744880 | 0.81 | NPC1 (0.40) | — | |
| SCHEMBL926493 | 0.72 | KCNJ6 (0.30) | — | |
| SCHEMBL855908 | 0.71 | — | — | |
| SCHEMBL2699199 | 0.71 | — | — | |
| SCHEMBL27848997 | 0.69 | S1PR1 (0.30) | — | |
| SCHEMBL7592597 | 0.64 | NOS3 (0.39) | — | |
| SCHEMBL4094372 | 0.60 | TDP1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL30096476 | 0.58 | TDP1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL31628644 | 0.58 | TDP1 (0.53) | — | |
| SCHEMBL218054 | 0.57 | TDP1 (0.67) | — |
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-8410141-B2 | Insecticidal arylpyrrolines | BAYER CROPSCIENCE AG (DE) | 2013-04-02 | — | — | US | disclosed |
| US-20120108635-A1 | Insecticidal Arylpyrrolines | BAYER CROPSCIENCE AG (DE) | 2012-05-03 | — | — | US | disclosed |