⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9341744 | 0.99 | — | — | |
| SCHEMBL9339796 | 0.94 | HTR2A (0.57) | — | |
| SCHEMBL10587379 | 0.82 | ALDH1A1 (0.57) | — | |
| SCHEMBL29208105 | 0.81 | HTR2A (0.52) | — | |
| SCHEMBL7305776 | 0.80 | — | — | |
| SCHEMBL9343644 | 0.80 | HTR2A (0.59) | — | |
| SCHEMBL9339578 | 0.79 | MEN1 (0.51) | — | |
| Hydrochloric Acid SCHEMBL9340630 | 0.79 | HTR2A (0.58) | — | |
| SCHEMBL29208102 | 0.79 | HTR2A (0.58) | — | |
| SCHEMBL28133568 | 0.79 | HTR2A (0.58) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0317997-B1 | 1,4-Disubstituted-piperidinyl compounds | MERRELL DOW PHARMA (US) | 1994-06-15 | — | — | EP | claimed |
| US-4870083-A | 1,4-Disubstituted-piperidinyl compounds useful as analgesics and muscle relaxants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-09-26 | — | — | US | claimed |
| EP-0317997-A2 | 1,4-Disubstituted-piperidinyl compounds | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-05-31 | — | — | EP | claimed |
| EP-0317997-B1 | 1,4-Disubstituted-piperidinyl compounds | MERRELL DOW PHARMA (US) | 1994-06-15 | — | — | EP | disclosed |
| US-4870083-A | 1,4-Disubstituted-piperidinyl compounds useful as analgesics and muscle relaxants | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-09-26 | — | — | US | disclosed |
| EP-0317997-A2 | 1,4-Disubstituted-piperidinyl compounds | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-05-31 | — | — | EP | disclosed |