⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9302689 | 0.89 | NPC1 (0.32) | — | |
| SCHEMBL9302956 | 0.85 | CYP26A1 (0.34) | — | |
| SCHEMBL6664862 | 0.84 | CYP26A1 (0.30) | — | |
| SCHEMBL6664157 | 0.84 | AKR1B1 (0.30) | — | |
| SCHEMBL6663862 | 0.83 | — | — | |
| SCHEMBL9303658 | 0.82 | — | — | |
| SCHEMBL9302708 | 0.82 | — | — | |
| SCHEMBL6669251 | 0.79 | CYP26A1 (0.34) | — | |
| SCHEMBL9302749 | 0.78 | CYP26A1 (0.38) | — | |
| SCHEMBL9302230 | 0.77 | PTGER4 (0.31) | — |
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-5354752-A | A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis | ALLERGAN, INC. (US) | 1994-10-11 | — | — | US | claimed |