⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14842617 | 0.79 | — | — | |
| SCHEMBL18724707 | 0.72 | — | — | |
| SCHEMBL115609 | 0.71 | — | — | |
| SCHEMBL21319727 | 0.71 | ADH1B (0.65) | — | |
| SCHEMBL21997344 | 0.71 | ADH1B (1.00) | — | |
| SCHEMBL19658308 | 0.71 | ADH1B (1.00) | — | |
| Hydrochloric Acid SCHEMBL4095046 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9205102 | 0.69 | — | — | |
| SCHEMBL23374074 | 0.67 | — | — | |
| SCHEMBL13856641 | 0.67 | ADH1B (0.33) | — |
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-8158560-B2 | Insecticidal arylpyrroline compounds | BAYER CROPSCIENCE AG (DE) | 2012-04-17 | — | — | US | disclosed |
| US-20110118319-A1 | Insecticidal Arylpyrroline Compounds | BAYER CROPSCIENCE AG (DE) | 2011-05-19 | — | — | US | disclosed |