⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17425185 | 1.00 | — | — | |
| SCHEMBL16934846 | 0.84 | TSHR (0.44) | — | |
| SCHEMBL9234508 | 0.80 | — | — | |
| SCHEMBL11058929 | 0.78 | — | — | |
| SCHEMBL7082592 | 0.74 | — | — | |
| SCHEMBL13810615 | 0.70 | — | — | |
| SCHEMBL1994492 | 0.70 | — | — | |
| SCHEMBL1996808 | 0.64 | — | — | |
| SCHEMBL11920776 | 0.64 | — | — | |
| SCHEMBL2001880 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689742-B1 | QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY | PFIZER (US) | 2010-03-17 | — | — | EP | claimed |
| US-20060160850-A1 | Bicyclic heterocycles as cannabinoid receptor modulators | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-20 | — | — | US | disclosed |