⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2136106 | 1.00 | — | — | |
| SCHEMBL9052286 | 0.84 | — | — | |
| SCHEMBL17287775 | 0.84 | — | — | |
| SCHEMBL7426365 | 0.82 | — | — | |
| SCHEMBL587839 | 0.82 | — | — | |
| SCHEMBL7175242 | 0.80 | PTPN1 (0.32) | — | |
| SCHEMBL17287669 | 0.77 | — | — | |
| SCHEMBL10435951 | 0.74 | — | — | |
| SCHEMBL11869532 | 0.73 | — | — | |
| SCHEMBL7522538 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372656-B1 | Polymers comprising spirolactam units | SHELL INT RESEARCH (NL) | 1995-06-07 | — | — | EP | claimed |
| EP-0384518-B1 | Alkenylphenol derivatives | SHELL INT RESEARCH (NL) | 1994-08-24 | — | — | EP | claimed |
| EP-0359340-B1 | Spirodilactam polymers | SHELL INT RESEARCH (NL) | 1994-03-16 | — | — | EP | claimed |