⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL648959 | 1.00 | — | — | |
| Acetone SCHEMBL9348051 | 0.89 | LMNA (0.40) | — | |
| SCHEMBL4071825 | 0.89 | ALDH1A1 (0.32) | — | |
| Phosphoric Acid SCHEMBL5963665 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL14152860 | 0.76 | — | — | |
| SCHEMBL29120850 | 0.75 | — | — | |
| SCHEMBL9798255 | 0.75 | — | — | |
| SCHEMBL29585643 | 0.72 | — | — | |
| SCHEMBL8756012 | 0.72 | — | — | |
| SCHEMBL9797069 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002055488-A1 | ASYMMETRIC DIVINYLSTILBENE-SULPHONIC ACIDS | CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) | 2002-07-18 | — | — | WO | disclosed |