⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723273 | 0.75 | — | — | |
| SCHEMBL15273321 | 0.73 | — | — | |
| SCHEMBL10809908 | 0.72 | — | — | |
| SCHEMBL1268598 | 0.71 | — | — | |
| SCHEMBL8855845 | 0.63 | LMNA (0.32) | — | |
| SCHEMBL8896003 | 0.63 | CHRNB2 (0.36) | — | |
| SCHEMBL10698584 | 0.60 | — | — | |
| SCHEMBL1845987 | 0.60 | HDAC3 (0.31) | — | |
| SCHEMBL8412790 | 0.60 | — | — | |
| SCHEMBL618855 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4739067-A | NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1988-04-19 | — | — | US | disclosed |
| EP-0234011-A1 | 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines | WARNER-LAMBERT COMPANY (US) | 1987-09-02 | — | — | EP | disclosed |
| US-4650805-A | 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity | WARNER-LAMBERT COMPANY (US) | 1987-03-17 | — | — | US | disclosed |