⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6683588 | 0.86 | — | — | |
| SCHEMBL6683940 | 0.77 | — | — | |
| SCHEMBL27282491 | 0.73 | DNTT (0.32) | — | |
| SCHEMBL7802917 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL28256306 | 0.70 | POLA1 (0.41) | — | |
| SCHEMBL7111007 | 0.69 | — | — | |
| SCHEMBL6683032 | 0.68 | — | — | |
| SCHEMBL6684151 | 0.66 | — | — | |
| SCHEMBL6685357 | 0.66 | — | — | |
| SCHEMBL17160040 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |