⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14673188 | 1.00 | — | — | |
| SCHEMBL14673523 | 1.00 | — | — | |
| SCHEMBL2233504 | 1.00 | — | — | |
| SCHEMBL14673549 | 0.97 | — | — | |
| SCHEMBL2703024 | 0.90 | — | — | |
| SCHEMBL12614042 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL9529889 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL16152164 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL12924149 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL1788508 | 0.80 | MEN1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008048695-A2 | SYNTHESIS AND APPLICATIONS OF NANOMATERIALS DERIVED FROM SELF-ASSEMBLED DIACETYLENIC TRIGLYCERIDES | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2008-04-24 | — | — | WO | disclosed |