⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7819604 | 0.79 | — | — | |
| SCHEMBL26661845 | 0.73 | GSR (0.41) | — | |
| SCHEMBL28492245 | 0.72 | LMNA (0.46) | — | |
| SCHEMBL5592146 | 0.72 | — | — | |
| SCHEMBL551092 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL18085354 | 0.72 | ANPEP (0.46) | — | |
| SCHEMBL18085349 | 0.72 | ANPEP (0.46) | — | |
| SCHEMBL8754546 | 0.71 | NFKB1 (0.38) | — | |
| SCHEMBL14633136 | 0.71 | — | — | |
| SCHEMBL21027660 | 0.71 | GSR (0.36) | — |
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-5856420-A | MISCIBILITY | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1999-01-05 | — | — | US | disclosed |