⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL272812 | 1.00 | — | — | |
| SCHEMBL1642291 | 0.75 | — | — | |
| SCHEMBL82184 | 0.75 | — | — | |
| SCHEMBL1642290 | 0.75 | — | — | |
| SCHEMBL82185 | 0.75 | — | — | |
| SCHEMBL7290507 | 0.73 | — | — | |
| SCHEMBL1723677 | 0.73 | TDP1 (0.31) | — | |
| SCHEMBL7290513 | 0.73 | — | — | |
| SCHEMBL1723678 | 0.73 | TDP1 (0.31) | — | |
| SCHEMBL14665245 | 0.73 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6384270-B1 | ACETYLATION OF ETHYNYL-RETRO-.ALPHA.-IONOL, ISOMERIZATION OF THE ACETATE TO ALLENE ACETATE AND HYDROLYZING IT TO AN ALDEHYDE | AVENTIS ANIMAL NUTRITION, S.A. (FR) | 2002-05-07 | — | — | US | claimed |
| JP-58065269-A | — | — | None | — | — | JP | disclosed |
| CN-114213254-B | Beta-nitroketone and preparation method and application method thereof | 北京师范大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-114213254-A | Beta-nitroketone, and preparation method and application method thereof | 北京师范大学 | 2022-03-22 | — | — | CN | disclosed |
| EP-3212184-B1 | SUBSTITUTED BENZOTETRAHYDROPYRANS AND THEIR USE | ABBVIE OVERSEAS SARL (LU) | 2020-04-01 | — | — | EP | disclosed |
| US-20190135827-A1 | Substituted Tricyclics and Method of Use | ABBVIE SARL (LU) | 2019-05-09 | — | — | US | disclosed |
| EP-3322697-A1 | SUBSTITUTED TRICYCLICS AND METHOD OF USE | Abbvie S.a.r.l. (LU) | 2018-05-23 | — | — | EP | disclosed |
| US-20180134654-A1 | ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2018-05-17 | — | — | US | disclosed |
| US-20180037587-A1 | Substituted Tricyclics and Method of Use | ABBVIE S.Á.R.L. (LU) | 2018-02-08 | — | — | US | disclosed |
| US-9840513-B2 | Substituted tricyclics and method of use | ABBVIE S.Á.R.L. (LU) | 2017-12-12 | — | — | US | disclosed |
| US-7683085-B2 | Compounds for the treatment of inflammatory disorders | SCHERING CORPORATION (US) | 2010-03-23 | — | — | US | disclosed |
| US-20090111803-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | SCHERING CORPORATION | 2009-04-30 | — | — | US | disclosed |
| US-20090062262-A1 | NON STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS | N.V. ORGANON (NL) | 2009-03-05 | — | — | US | disclosed |
| EP-1853601-B1 | NON STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS | ORGANON NV (NL) | 2009-02-11 | — | — | EP | disclosed |
| EP-1685183-B1 | METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS | WACKER CHEMIE AG (DE) | 2008-01-16 | — | — | EP | disclosed |
| EP-1853601-A1 | NON STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS | N.V. Organon (NL) | 2007-11-14 | — | — | EP | disclosed |
| US-20070129520-A1 | High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost | WACKER CHEMIE AG (DE) | 2007-06-07 | — | — | US | disclosed |
| WO-2006084917-A1 | NON STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS | N.V. ORGANON (NL) | 2006-08-17 | — | — | WO | disclosed |
| US-6384270-B1 | ACETYLATION OF ETHYNYL-RETRO-.ALPHA.-IONOL, ISOMERIZATION OF THE ACETATE TO ALLENE ACETATE AND HYDROLYZING IT TO AN ALDEHYDE | AVENTIS ANIMAL NUTRITION, S.A. (FR) | 2002-05-07 | — | — | US | disclosed |
| JP-S5865269-A | 4-SUBSTITUTED-(2S,3S,4S)-2-CARBOXYPYRROLIDINE-3-ACETIC ACID AND ITS ESTER | SUNTORY LTD | 1983-04-18 | — | — | JP | disclosed |