⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8759815 | 0.81 | TRPA1 (0.32) | — | |
| SCHEMBL22990013 | 0.69 | HCAR1 (0.36) | — | |
| SCHEMBL8565968 | 0.66 | PTGDR2 (0.36) | — | |
| SCHEMBL9006930 | 0.66 | PTGDR2 (0.33) | — | |
| SCHEMBL13674378 | 0.65 | — | — | |
| SCHEMBL14918216 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL7556014 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL28610617 | 0.62 | TRPA1 (0.38) | — | |
| SCHEMBL28364575 | 0.62 | CA2 (0.38) | — | |
| SCHEMBL21245467 | 0.61 | TAAR1 (0.54) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0405028-B1 | Thiochroman esters of phenols and terephthalates having retinoid-like activity | ALLERGAN INC (US) | 1995-10-11 | — | — | EP | disclosed |
| US-5015658-A | Treatment of skin disorders such as psoriasis | ALLERGAN, INC. (US) | 1991-05-14 | — | — | US | disclosed |
| EP-0405028-A1 | Thiochroman esters of phenols and terephthalates having retinoid-like activity | ALLERGAN, INC (US) | 1991-01-02 | — | — | EP | disclosed |