⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL159296 | 0.96 | — | — | |
| SCHEMBL9870576 | 0.81 | — | — | |
| Tert-Butylamine SCHEMBL28609177 | 0.77 | — | — | |
| SCHEMBL50101 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL1404 | 0.75 | — | — | |
| SCHEMBL2154133 | 0.75 | TSHR (0.38) | — | |
| Tert-Butylamine SCHEMBL27749601 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL138742 | 0.74 | THRB (0.41) | — | |
| SCHEMBL13962724 | 0.72 | — | — | |
| SCHEMBL3689675 | 0.72 | TSHR (0.53) | — |
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 248 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230183232-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2023-06-15 | — | — | US | disclosed |
| CN-115894422-A | PPAR gamma agonist and combination and application thereof | 上海中医药大学 | 2023-04-04 | — | — | CN | disclosed |
| US-11548887-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-01-10 | — | — | US | disclosed |
| CN-109641908-B | Five-membered heterocyclic [3,4-d ] pyridazinone compound, preparation method thereof, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2021-11-19 | — | — | CN | disclosed |
| CN-110494519-B | Ionically modified silicones, compositions, and medical devices formed therefrom | 莫门蒂夫性能材料股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-108329232-B | Hydrazide derivative and application thereof | 浙江大学 | 2021-04-16 | — | — | CN | disclosed |
| US-20210024515-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2021-01-28 | — | — | US | disclosed |
| US-10745394-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2020-08-18 | — | — | US | disclosed |
| US-20190308966-A1 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-10-10 | — | — | US | disclosed |
| US-10377751-B2 | 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-08-13 | — | — | US | disclosed |
| WO-2003072062-A2 | AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2003-09-04 | — | — | WO | disclosed |
| WO-2003060078-A2 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-07-24 | — | — | WO | disclosed |
| US-20030134855-A1 | BENZOTHIAZOLE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2003-07-17 | — | — | US | disclosed |
| WO-2003045386-A1 | BENZOTHIAZOLE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-06-05 | — | — | WO | disclosed |
| US-20030069284-A1 | Compounds useful for inhibiting Chk1 | ICOS CORPORATION (A WASHINGTON CORPORATION) | 2003-04-10 | — | — | US | disclosed |
| WO-2002094833-A1 | NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | ELI LILLY AND COMPANY (US) | 2002-11-28 | — | — | WO | disclosed |
| WO-2002070494-A1 | ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS | ICOS CORPORATION (US) | 2002-09-12 | — | — | WO | disclosed |
| EP-1014962-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999000121-A1 | ANTITHROMBOTIC AGENTS | ELI LILLY AND COMPANY (US) | 1999-01-07 | — | — | WO | disclosed |
| US-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | disclosed |