⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69038 | 0.97 | — | — | |
| SCHEMBL27707581 | 0.95 | — | — | |
| SCHEMBL605278 | 0.83 | — | — | |
| Alcohol SCHEMBL7259757 | 0.80 | THRB (0.42) | — | |
| SCHEMBL27608092 | 0.80 | THRB (0.42) | — | |
| SCHEMBL27698012 | 0.80 | THRB (0.42) | — | |
| SCHEMBL13767995 | 0.80 | THRB (0.33) | — | |
| SCHEMBL28251935 | 0.80 | — | — | |
| SCHEMBL27682349 | 0.78 | THRB (0.40) | — | |
| SCHEMBL7004652 | 0.77 | — | — |
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 2 patents. 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 |
| EP-0743330-A1 | Selectively hydrogenated symmetrical linear block copolymers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-11-20 | — | — | EP | disclosed |