⚠ 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 | |
|---|---|---|---|---|
| Methyl 2-Methylbutanoate SCHEMBL1869834 | 1.00 | CA1 (0.46) | — | |
| Methyl 2-Methylbutanoate SCHEMBL108113 | 1.00 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL8954886 | 1.00 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL23358383 | 0.97 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL27502998 | 0.97 | CA1 (0.45) | — | |
| Methyl 2-Methylbutanoate SCHEMBL28123513 | 0.97 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL27352651 | 0.97 | — | — | |
| Methyl 2-Methylbutanoate SCHEMBL27518909 | 0.95 | CA1 (0.43) | — | |
| Methyl 2-Methylbutanoate SCHEMBL28264726 | 0.95 | CA1 (0.43) | — | |
| Methyl 2-Methylbutanoate SCHEMBL28973687 | 0.93 | CA1 (0.42) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5496580-A | ADDING ESTERS OF 2-METHYLBUTYRIC ACID | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-03-05 | — | — | US | claimed |
| CN-117715614-A | Quick-drying perfume composition | 弗门尼舍有限公司 | 2024-03-15 | — | — | CN | disclosed |
| US-20180086726-A1 | 1,3,4-Oxadiazole and 1,3,4-Thiadiazole Derivatives as Immunomodulators | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-03-29 | — | — | US | disclosed |
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | XIAMEN UNIVERSITY (CN) | 2017-11-23 | — | — | US | disclosed |
| US-9776978-B2 | 1,3,4-oxadiazole and 1,3,4-thiadiazole derivatives as immunomodulators | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2017-10-03 | — | — | US | disclosed |
| US-20170101387-A1 | 1,3,4-Oxadiazole and 1,3,4-Thiadiazole Derivatives as Immunomodulators | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2017-04-13 | — | — | US | disclosed |
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-9440958-B2 | Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases | INCYTE CORPORATION (US) | 2016-09-13 | — | — | US | disclosed |
| EP-2118080-B1 | MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME | OCERA THERAPEUTICS INC (US) | 2016-08-31 | — | — | EP | disclosed |
| US-20160194295-A1 | 1,3,4-Oxadiazole and 1,3,4-Thiadiazole Derivatives as Immunomodulators | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2016-07-07 | — | — | US | disclosed |
| US-20110224189-A1 | SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES | INCYTE CORPORATION | 2011-09-15 | — | — | US | disclosed |
| US-20110144101-A1 | MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | EISAI CO., LTD. (JP) | 2011-06-16 | — | — | US | disclosed |
| EP-1801170-B1 | Inkjet ink for preparing lithographic printing plates and method for their preparation | AGFA GRAPHICS NV (BE) | 2010-04-07 | — | — | EP | disclosed |
| US-20090197834-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2009-08-06 | — | — | US | disclosed |
| US-7560480-B2 | Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-07-14 | — | — | US | disclosed |
| EP-1646633-B1 | BETA-STRAND MIMETICS | CHOONGWAE PHARMA CORP (KR) | 2009-04-15 | — | — | EP | disclosed |
| US-20080171724-A1 | Phosphonate Derivatives of Mycophenolic Acid | GILEAD SCIENCES, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| WO-2008008442-A1 | PREPARATION AND UTILITY OF HMG-COA REDUCTASE INHIBITORS | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-01-17 | — | — | WO | disclosed |
| EP-1801170-A1 | Inkjet ink for preparing lithographic printing plates and method for their preparation | Agfa Graphics N.V. (BE) | 2007-06-27 | — | — | EP | disclosed |
| US-5496580-A | ADDING ESTERS OF 2-METHYLBUTYRIC ACID | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-03-05 | — | — | US | disclosed |