⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL508723 | 0.71 | — | — | |
| SCHEMBL15867879 | 0.70 | KDM4E (0.38) | — | |
| SCHEMBL541939 | 0.68 | — | — | |
| SCHEMBL541381 | 0.68 | — | — | |
| SCHEMBL2571098 | 0.66 | — | — | |
| SCHEMBL509164 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL9864925 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL8620811 | 0.65 | — | — | |
| SCHEMBL9864890 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL509095 | 0.61 | CYP1A2 (0.33) | — |
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-4956265-A | POLYUNSATURATED WITH ESTER AND CARBOXY GROUPS; PROTECTIVE COATINGS, GRAPHIC ARTS, PHOTORESTS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1990-09-11 | — | — | US | disclosed |