⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18576126 | 0.86 | POLH (0.33) | — | |
| SCHEMBL18576127 | 0.82 | MEN1 (0.36) | — | |
| SCHEMBL21867710 | 0.73 | POLH (0.44) | — | |
| SCHEMBL26562156 | 0.69 | MEN1 (0.57) | — | |
| SCHEMBL25761542 | 0.67 | MEN1 (0.59) | — | |
| SCHEMBL22244160 | 0.66 | POLH (0.50) | — | |
| SCHEMBL20622723 | 0.61 | ABCB1 (0.41) | — | |
| SCHEMBL19943189 | 0.58 | CYP3A4 (0.70) | — | |
| SCHEMBL25574691 | 0.57 | ALDH1A1 (0.41) | — | |
| SCHEMBL22449722 | 0.56 | POLH (0.71) | — |
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-2017032711-A1 | ACTIVE COMBINATIONS, COMPOSITIONS AND METHODS FOR ENHANCING HAIR GROWTH | GRATIA MUNDI GMBH (DE) | 2017-03-02 | — | — | WO | disclosed |