⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12728724 | 0.82 | — | — | |
| SCHEMBL10073428 | 0.72 | CHRM3 (0.44) | — | |
| SCHEMBL22142215 | 0.70 | PTPN1 (0.31) | — | |
| SCHEMBL7910143 | 0.67 | PTPN1 (0.35) | — | |
| SCHEMBL13644171 | 0.66 | — | — | |
| SCHEMBL20314870 | 0.65 | TSHR (0.60) | — | |
| SCHEMBL19413480 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL9266718 | 0.65 | — | — | |
| SCHEMBL5486557 | 0.65 | — | — | |
| SCHEMBL10152548 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012088402-A1 | SYNTHESIS OF CONOLIDINE AND DISCOVERY OF A POTENT NON-OPIOID ANALGESIC FOR PAIN | THE SCRIPPS RESEARCH INSTITUTE (US) | 2012-06-28 | — | — | WO | disclosed |