⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14155641 | 0.67 | — | — | |
| SCHEMBL12238849 | 0.67 | — | — | |
| SCHEMBL24303326 | 0.67 | — | — | |
| SCHEMBL5161259 | 0.64 | — | — | |
| SCHEMBL15116990 | 0.63 | — | — | |
| SCHEMBL8718259 | 0.60 | FUCA1 (0.39) | — | |
| SCHEMBL9961616 | 0.60 | FUCA1 (0.39) | — | |
| SCHEMBL16381869 | 0.57 | — | — | |
| SCHEMBL7051198 | 0.57 | — | — | |
| SCHEMBL27647012 | 0.57 | TAS2R46 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007076070-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |
| CN-1589271-A | Fused heterocyclic succinimide compounds and analogs thereof as modulators of nuclear hormone receptor function | BRISTOL MYERS SQUIBB CO (US) | 2005-03-02 | — | — | CN | disclosed |