⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17630129 | 0.76 | CTSK (0.43) | — | |
| SCHEMBL13567026 | 0.74 | MCL1 (0.40) | — | |
| SCHEMBL425466 | 0.74 | — | — | |
| SCHEMBL9255945 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL207501 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29494595 | 0.72 | — | — | |
| SCHEMBL1247149 | 0.71 | — | — | |
| SCHEMBL15068246 | 0.71 | TSHR (0.47) | — | |
| SCHEMBL17173842 | 0.70 | — | — | |
| SCHEMBL1246920 | 0.70 | ALDH1A1 (0.37) | — |
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-20140309251-A1 | SPIROTHIENOPYRAN-PIPERIDINE DERIVATIVES AS ORL-1 RECEPTOR ANTAGONISTS FOR THEIR USE IN THE TREATMENT OF ALCOHOL DEPENDENCE AND ABUSE | ELI LILLY AND COMPANY (US) | 2014-10-16 | — | — | US | claimed |
| EP-2787995-B1 | SPIROTHIENOPYRAN-PIPERIDINE DERIVATIVES AS ORL-1 RECEPTOR ANTAGONISTS FOR THEIR USE IN THE TREATMENT OF ALCOHOL DEPENDENCE AND ABUSE | LILLY CO ELI (US) | 2016-08-17 | — | — | EP | disclosed |
| US-4316898-A | AS ANTIBIOTICS | BOEHRINGER INGELHEIM KG (DE) | 1982-02-23 | — | — | US | disclosed |