⚠ 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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL4973361 | 0.94 | — | — | |
| 1,3-Propanediol SCHEMBL8850846 | 0.94 | TSHR (0.50) | — | |
| 1,3-Propanediol SCHEMBL15135 | 0.94 | — | — | |
| 1,3-Propanediol SCHEMBL5513392 | 0.88 | — | — | |
| 1,3-Propanediol SCHEMBL5930809 | 0.88 | — | — | |
| 1,3-Propanediol SCHEMBL23295934 | 0.88 | — | — | |
| 1,3-Propanediol SCHEMBL388191 | 0.88 | — | — | |
| 1,3-Propanediol SCHEMBL22660195 | 0.88 | — | — | |
| 1,3-Propanediol SCHEMBL22092283 | 0.88 | — | — | |
| 1,3-Propanediol SCHEMBL2530198 | 0.88 | — | — |
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-0347328-B1 | COMPOSITION CONTAINING AN AMPHOTERIC SURFACTANT AND A PYRIMIDINE DERIVATIVE TO INDUCE AND STIMULATE THE HAIR GROWTH AND/OR TO REDUCE HAIR LOSS | L'OREAL (FR) | 1991-03-20 | — | — | EP | claimed |