⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27619116 | 0.79 | — | — | |
| SCHEMBL27615011 | 0.77 | NOS3 (0.36) | — | |
| SCHEMBL4765324 | 0.75 | — | — | |
| SCHEMBL27615013 | 0.74 | P2RX7 (0.36) | — | |
| Bromide SCHEMBL6449665 | 0.73 | — | — | |
| SCHEMBL27607829 | 0.72 | — | — | |
| SCHEMBL27596207 | 0.70 | P2RX7 (0.32) | — | |
| Bromide SCHEMBL27596186 | 0.69 | P2RX7 (0.31) | — | |
| SCHEMBL10635476 | 0.68 | — | — | |
| SCHEMBL13812485 | 0.65 | P2RX7 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101243078-A | Thiazolyl piperidine derivatives useful as h3 receptor modulators | HOFFMANN LA ROCHE (CH) | 2008-08-13 | — | — | CN | disclosed |
| CN-100395234-C | Novel CB1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2008-06-18 | — | — | CN | disclosed |
| CN-100363362-C | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | CN | disclosed |
| CN-101012193-A | Novel CB 1 receptour inverse agonists | HOFFMANN LA ROCHE (CH) | 2007-08-08 | — | — | CN | disclosed |
| CN-1735593-A | Novel CB1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2006-02-15 | — | — | CN | disclosed |
| CN-1639158-A | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |