⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28177248 | 0.77 | CA1 (0.34) | — | |
| SCHEMBL11347159 | 0.77 | — | — | |
| SCHEMBL28302363 | 0.75 | — | — | |
| SCHEMBL2443190 | 0.75 | — | — | |
| SCHEMBL11476352 | 0.71 | P2RY1 (0.44) | — | |
| SCHEMBL28854137 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL28192183 | 0.71 | MAPT (0.32) | — | |
| SCHEMBL28226303 | 0.71 | SLC6A3 (0.34) | — | |
| SCHEMBL27999303 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL6027517 | 0.68 | CDK5 (0.51) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4148904-A | 2-HALO-4-CARBOXAMIDE- OR CARBOXIMIDOTHIAZOLES | JOHN WYETH & BROTHER LIMITED (GB) | 1979-04-10 | — | — | US | claimed |
| EP-1606275-B1 | OPIOID RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-08-27 | — | — | EP | disclosed |
| US-7396943-B2 | Opioid receptor antagonists | ELI LILLY AND COMPANY (US) | 2008-07-08 | — | — | US | disclosed |
| US-20060166987-A1 | Opioid receptor antagonists | ELI LILLY AND COMPANY | 2006-07-27 | — | — | US | disclosed |
| EP-1606275-A1 | OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004080996-A1 | OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2004-09-23 | — | — | WO | disclosed |
| US-4183854-A | ANTIULCER OR ANTISECRETORY AGENT FOR MAMMALS | JOHN WYETH & BROTHER LIMITED (GB) | 1980-01-15 | — | — | US | disclosed |
| US-4148904-A | 2-HALO-4-CARBOXAMIDE- OR CARBOXIMIDOTHIAZOLES | JOHN WYETH & BROTHER LIMITED (GB) | 1979-04-10 | — | — | US | disclosed |