⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1883767 | 0.92 | ALDH1A1 (0.58) | — | |
| SCHEMBL10451058 | 0.90 | ALDH1A1 (0.56) | — | |
| SCHEMBL2970296 | 0.83 | — | — | |
| SCHEMBL131476 | 0.83 | ALDH1A1 (0.74) | — | |
| SCHEMBL5948495 | 0.83 | ALDH1A1 (0.74) | — | |
| SCHEMBL3189950 | 0.80 | ALDH1A1 (0.70) | — | |
| SCHEMBL8873177 | 0.77 | ALDH1A1 (0.58) | — | |
| SCHEMBL1191256 | 0.76 | ALDH1A1 (0.63) | — | |
| SCHEMBL96641 | 0.76 | — | — | |
| SCHEMBL9210592 | 0.76 | — | — |
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 10 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-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 |
| US-6346633-B1 | TERT-AMINOPHENYLESTER OF ACID | ASTRAZENECA AB (SE) | 2002-02-12 | — | — | US | disclosed |
| EP-1064253-A1 | ANTI-TUMOUR AGENTS | AstraZeneca AB (SE) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048857-A1 | ANTI-TUMOUR AGENTS | ASTRAZENECA AB (SE) | 1999-09-30 | — | — | WO | disclosed |
| US-5457105-A | anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) | ZENECA LIMITED (GB) | 1995-10-10 | — | — | US | disclosed |
| EP-0566226-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1993-10-20 | — | — | EP | disclosed |