⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12101244 | 0.82 | MEN1 (0.38) | — | |
| SCHEMBL13398977 | 0.81 | — | — | |
| SCHEMBL13398992 | 0.76 | — | — | |
| SCHEMBL17445954 | 0.73 | MAPT (0.55) | — | |
| SCHEMBL17445955 | 0.73 | — | — | |
| SCHEMBL17445963 | 0.67 | — | — | |
| SCHEMBL17445962 | 0.67 | — | — | |
| SCHEMBL13485630 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL13683546 | 0.64 | — | — | |
| SCHEMBL17897730 | 0.64 | ALDH1A1 (0.34) | — |
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-20100104523-A1 | STABILIZATION OF UV-SENSITIVE ACTIVE INGREDIENTS | CIBA CORPORATION (US) | 2010-04-29 | — | — | US | disclosed |