⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884447 | 0.97 | — | — | |
| SCHEMBL2887050 | 0.88 | — | — | |
| SCHEMBL8172733 | 0.80 | TRPV1 (0.35) | — | |
| SCHEMBL1442441 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL3097278 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL3093387 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL4646666 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL4641507 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL3090843 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL146778 | 0.79 | — | — |
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-5145601-A | Ferroelectric liquid crystals with nicotinic acid cores | THE UNIVERSITY OF COLORADO FOUNDATION INC. (US) | 1992-09-08 | — | — | US | disclosed |