⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937070 | 0.86 | ALDH1A1 (0.32) | — | |
| Syringol SCHEMBL7939335 | 0.86 | ALOX5 (0.36) | — | |
| SCHEMBL7930331 | 0.85 | CYP1A2 (0.36) | — | |
| SCHEMBL7939606 | 0.84 | CYP2A6 (0.33) | — | |
| SCHEMBL7939360 | 0.83 | — | — | |
| Syringol SCHEMBL7938380 | 0.79 | ALOX5 (0.32) | — | |
| Phenol SCHEMBL7930338 | 0.77 | ORAI1 (0.32) | — | |
| SCHEMBL4652631 | 0.76 | — | — | |
| SCHEMBL3842777 | 0.76 | — | — | |
| Fluoride Ion SCHEMBL1130833 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6281320-B1 | POLYOLEFIN CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-08-28 | — | — | US | disclosed |