⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7893286 | 0.90 | — | — | |
| SCHEMBL7891184 | 0.86 | CREBBP (0.35) | — | |
| SCHEMBL7881868 | 0.84 | — | — | |
| SCHEMBL7887195 | 0.80 | — | — | |
| SCHEMBL7888752 | 0.78 | PTGES (0.30) | — | |
| SCHEMBL7881710 | 0.76 | — | — | |
| SCHEMBL7889414 | 0.74 | BRD4 (0.32) | — | |
| SCHEMBL7889720 | 0.73 | RXFP1 (0.34) | — | |
| SCHEMBL7888664 | 0.72 | — | — | |
| SCHEMBL8547692 | 0.71 | BCAT1 (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-6174839-B1 | AS HERBICIDE | NIHON BAYER AGROCHEM K.K. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0869123-A2 | Phenylacetylene derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1998-10-07 | — | — | EP | disclosed |