⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3682741 | 0.84 | BRD4 (0.32) | — | |
| Syringol SCHEMBL7942003 | 0.79 | MEN1 (0.35) | — | |
| Syringol SCHEMBL7939505 | 0.69 | CA12 (0.34) | — | |
| Syringol SCHEMBL7939382 | 0.69 | CA12 (0.34) | — | |
| Syringol SCHEMBL7937075 | 0.67 | HTR2C (0.34) | — | |
| Hydrochloric Acid SCHEMBL3675734 | 0.67 | — | — | |
| Syringol SCHEMBL7930355 | 0.65 | KDM4E (0.33) | — | |
| Syringol SCHEMBL7939422 | 0.64 | CYP19A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3655003 | 0.61 | — | — | |
| Syringol SCHEMBL7930267 | 0.61 | CA12 (0.34) | — |
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 |