⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7037056 | 1.00 | — | — | |
| SCHEMBL13925831 | 0.77 | — | — | |
| SCHEMBL23783519 | 0.72 | — | — | |
| SCHEMBL23783520 | 0.72 | — | — | |
| SCHEMBL10739537 | 0.71 | — | — | |
| SCHEMBL10739541 | 0.71 | — | — | |
| SCHEMBL12389699 | 0.71 | — | — | |
| SCHEMBL1619244 | 0.70 | — | — | |
| SCHEMBL3307734 | 0.70 | PPARG (0.44) | — | |
| SCHEMBL6004174 | 0.70 | SOAT2 (0.33) | — |
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-8859615-B2 | Compounds, compositions and methods for reducing toxicity and treating or preventing diseases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-10-14 | — | — | US | disclosed |
| US-7994346-B2 | such as methyl 2-({(4S,5R)-5-[(1E,3E,7E)-(S)-10-(4-fluorophenoxy)-9-hydroxydeca-1,3,7-trien-5-yn-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl}methoxy)acetate, useful in treating inflammatory and autoimmune disorders in humans | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-08-09 | — | — | US | disclosed |
| US-7928255-B2 | Intermediates for the preparation of lipoxin A4 analogs | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-04-19 | — | — | US | disclosed |
| EP-2108642-A1 | JAK INHIBITOR | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-10-14 | — | — | EP | disclosed |
| WO-2009105123-A1 | COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DISEASES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-08-27 | — | — | WO | disclosed |
| US-7223798-B2 | Lipoxin A4 analogs | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-29 | — | — | US | disclosed |
| US-20070105949-A1 | Intermediates for the preparation of lipoxin A4 analogs | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-05-10 | — | — | US | disclosed |
| US-20070037864-A1 | Intermediates for the preparation of lipoxin A4 analogs | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-02-15 | — | — | US | disclosed |
| US-20030065117-A1 | Modified silicone compound, process of producing the same, and cured object obtained therefrom | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2003-04-03 | — | — | US | disclosed |
| US-4230878-A | AND 4-(UNSATURATED ALKYL)AMINOBENZOIC ACIDS AND DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1980-10-28 | — | — | US | disclosed |