⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27501599 | 0.82 | — | — | |
| SCHEMBL6547131 | 0.76 | OPRM1 (0.31) | — | |
| SCHEMBL8816870 | 0.66 | — | — | |
| SCHEMBL4264692 | 0.63 | NFKB1 (0.33) | — | |
| SCHEMBL15863069 | 0.59 | — | — | |
| SCHEMBL11138213 | 0.58 | — | — | |
| SCHEMBL18316486 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL970524 | 0.55 | — | — | |
| SCHEMBL18301218 | 0.53 | — | — | |
| SCHEMBL3226604 | 0.50 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0743330-B1 | Selectively hydrogenated symmetrical linear block copolymers | SHELL INT RESEARCH (NL) | 2001-08-16 | — | — | EP | disclosed |