⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24547712 | 0.82 | METAP1 (0.46) | — | |
| SCHEMBL19117382 | 0.82 | METAP1 (0.46) | — | |
| SCHEMBL1524557 | 0.80 | OPRM1 (0.52) | — | |
| SCHEMBL277056 | 0.80 | — | — | |
| SCHEMBL9650162 | 0.80 | — | — | |
| SCHEMBL28024089 | 0.78 | — | — | |
| SCHEMBL20018138 | 0.78 | — | — | |
| SCHEMBL28405097 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL28023660 | 0.78 | — | — | |
| SCHEMBL10420715 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979397-A4 | SHAPE MEMORY CYANATE ESTER COPOLYMERS | CORNERSTONE RES GROUP INC (US) | 2009-04-08 | — | — | EP | claimed |
| EP-1979397-A2 | SHAPE MEMORY CYANATE ESTER COPOLYMERS | CORNERSTONE RESEARCH GROUP, INC. (US) | 2008-10-15 | — | — | EP | claimed |
| WO-2008051241-A2 | SHAPE MEMORY CYANATE ESTER COPOLYMERS | CORNERSTONE RESEARCH GROUP, INC. (US) | 2008-05-02 | — | — | WO | claimed |