⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26218899 | 0.80 | CYP2D6 (0.38) | — | |
| SCHEMBL7707764 | 0.79 | NFKB1 (0.33) | — | |
| SCHEMBL23802625 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL23986317 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL21652115 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL21095351 | 0.69 | ODC1 (0.32) | — | |
| SCHEMBL10027675 | 0.67 | ODC1 (0.36) | — | |
| SCHEMBL22484473 | 0.67 | CYP2D6 (0.36) | — | |
| SCHEMBL37539 | 0.66 | — | — | |
| SCHEMBL10100188 | 0.66 | ODC1 (0.35) | — |
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-2020002128-A1 | COMPOSITION COMPRISING A PARTICULAR DOUBLE SALT OF A DIAMMONIUM AND CARBOXYLATE(S), METHOD AND USE THEREOF | L'OREAL (FR) | 2020-01-02 | — | — | WO | disclosed |