⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10401885 | 0.85 | ALDH1A1 (0.56) | — | |
| SCHEMBL13589483 | 0.81 | — | — | |
| SCHEMBL12733545 | 0.79 | LMNA (0.55) | — | |
| SCHEMBL15637750 | 0.78 | — | — | |
| SCHEMBL13589476 | 0.77 | PAOX (0.52) | — | |
| SCHEMBL23956968 | 0.76 | PAOX (0.59) | — | |
| SCHEMBL6677290 | 0.76 | — | — | |
| SCHEMBL15198689 | 0.76 | — | — | |
| SCHEMBL13997985 | 0.76 | — | — | |
| SCHEMBL12666038 | 0.76 | LMNA (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3549574-A1 | COMPOSITION FOR PROMOTING HAIR GROWTH OR HAIR RESTORATION, CONTAINING NOVEL PANTETHEINE-BASED SUBSTANCE | Korea Institute of Ocean Science & Technology (KR) | 2019-10-09 | — | — | EP | disclosed |