⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21964905 | 0.98 | PAOX (0.56) | — | |
| SCHEMBL21501453 | 0.98 | PAOX (0.56) | — | |
| SCHEMBL19400311 | 0.98 | PAOX (0.56) | — | |
| SCHEMBL14073780 | 0.98 | PAOX (0.56) | — | |
| SCHEMBL8358519 | 0.98 | PAOX (0.56) | — | |
| SCHEMBL2979960 | 0.98 | PAOX (0.56) | — | |
| Hydrochloric Acid SCHEMBL8356936 | 0.95 | PAOX (0.54) | — | |
| SCHEMBL2527724 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL6044378 | 0.90 | — | — | |
| SCHEMBL7753090 | 0.87 | LMNA (0.57) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132545-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2008-06-05 | — | — | US | claimed |
| WO-2008016643-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | claimed |
| US-20230331683-A1 | INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. | 2023-10-19 | — | — | US | disclosed |
| WO-2022053010-A1 | FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2022-03-17 | — | — | WO | disclosed |
| WO-2022053010-A1 | FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2022-03-17 | — | — | WO | disclosed |
| WO-2019157065-A9 | INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME | UNIVERSITY OF MIAMI (US) | 2020-10-29 | — | — | WO | disclosed |
| US-10709794-B2 | Photodynamic therapy composition | CASE WESTERN RESERVE UNIVERSITY (US) | 2020-07-14 | — | — | US | disclosed |
| EP-3660041-A1 | INSULIN RECEPTOR PARTIAL AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2020-06-03 | — | — | EP | disclosed |
| EP-3660040-A2 | INSULIN RECEPTOR PARTIAL AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2020-06-03 | — | — | EP | disclosed |
| WO-2019157065-A1 | INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME | UNIVERSITY OF MIAMI (US) | 2019-08-15 | — | — | WO | disclosed |
| US-10207005-B2 | Photodynamic therapy composition | CASE WESTERN RESERVE UNIVERSITY (US) | 2019-02-19 | — | — | US | disclosed |
| US-7939548-B2 | Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction | CYTOKINETICS, INC. (US) | 2011-05-10 | — | — | US | disclosed |
| US-20080132545-A1 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. | 2008-06-05 | — | — | US | disclosed |
| WO-2008016643-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | disclosed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |