⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28240692 | 0.71 | TRPA1 (0.31) | — | |
| SCHEMBL160662 | 0.63 | ALOX15 (0.31) | — | |
| SCHEMBL30624470 | 0.63 | ALOX15 (0.31) | — | |
| SCHEMBL8832858 | 0.63 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL4010040 | 0.62 | — | — | |
| SCHEMBL518987 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL1913180 | 0.61 | CA12 (0.32) | — | |
| SCHEMBL71857 | 0.61 | — | — | |
| SCHEMBL10701435 | 0.60 | TRPA1 (0.41) | — | |
| SCHEMBL6448428 | 0.60 | KDM4E (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194429-B1 | POTASSIUM CHANNEL OPENERS | ABBOTT LAB (US) | 2005-03-30 | — | — | EP | disclosed |