⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL677197 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL28850817 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL2143137 | 0.89 | — | — | |
| SCHEMBL5481797 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL7677493 | 0.82 | LMNA (0.39) | — | |
| SCHEMBL27870168 | 0.80 | — | — | |
| SCHEMBL13362092 | 0.79 | CA12 (0.31) | — | |
| SCHEMBL28172341 | 0.79 | NAAA (0.31) | — | |
| SCHEMBL29985526 | 0.78 | — | — | |
| SCHEMBL8007472 | 0.76 | LMNA (0.31) | — |
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-2242774-A1 | SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS | Catalyse (FR) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009115671-A1 | SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS | CATALYSE (FR) | 2009-09-24 | — | — | WO | disclosed |