⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9315437 | 1.00 | — | — | |
| Benzene SCHEMBL11242418 | 0.95 | FFAR3 (0.38) | — | |
| SCHEMBL31174525 | 0.88 | ALDH1A1 (0.37) | — | |
| SCHEMBL2546877 | 0.84 | ALDH1A1 (0.41) | — | |
| Toluene SCHEMBL6905809 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL10412722 | 0.81 | ACE2 (0.47) | — | |
| SCHEMBL16612661 | 0.79 | TDP1 (0.41) | — | |
| Methylmalonic Acid SCHEMBL995094 | 0.79 | FFAR3 (0.62) | — | |
| SCHEMBL28279631 | 0.79 | TDP1 (0.37) | — | |
| SCHEMBL93138 | 0.78 | HDAC1 (0.46) | — |
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 330 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240238230-A1 | METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF | BAYLOR COLLEGE OF MEDICINE | 2024-07-18 | — | — | US | claimed |
| US-20230383319-A1 | ITERATIVE PLATFORM FOR THE SYNTHESIS OF ALPHA FUNCTIONALIZED PRODUCTS | Gonzalez, Ramon (US) | 2023-11-30 | — | — | US | claimed |
| US-11786494-B2 | Methods of modulation of branched chain acids and uses thereof | BAYLOR COLLEGE OF MEDICINE (US) | 2023-10-17 | — | — | US | claimed |
| CN-116854578-A | Preparation method of sodium valproate process impurity 2-methyl valeric acid | 湖南省湘中制药有限公司 | 2023-10-10 | — | — | CN | claimed |
| US-20220128556-A1 | METHODS OF DIAGNOSING DISEASE | 4D Pharma Cork Limited (IE) | 2022-04-28 | — | — | US | claimed |
| EP-3947743-A1 | METHODS OF DIAGNOSING DISEASE | 4D Pharma Cork Limited (IE) | 2022-02-09 | — | — | EP | claimed |
| WO-2020201457-A1 | METHODS OF DIAGNOSING DISEASE | 4D Pharma Cork Limited (IE) | 2020-10-08 | — | — | WO | claimed |
| US-20200147016-A1 | METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF | ACER THERAPEUTICS INC. | 2020-05-14 | — | — | US | claimed |
| CN-106054523-B | A kind of degradable photoresist of double-response type and preparation method thereof and application method | 北京化工大学 | 2019-10-18 | — | — | CN | claimed |
| CN-109851633-A | A kind of preparation method of apoester intermediate | 肇庆巨元生化有限公司 | 2019-06-07 | — | — | CN | claimed |
| WO-2011011781-A1 | METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF | BAYLOR COLLEGE OF MEDICINE (US) | 2011-01-27 | — | — | WO | claimed |
| CN-1980890-A | Process for the preparation of atorvastatin | RANBAXY LAB LTD (IN) | 2007-06-13 | — | — | CN | claimed |
| EP-1095928-B1 | Direct fluorination process for preparing high purity alpha-fluoro-beta-dicarbonyl compounds | AIR PROD & CHEM (US) | 2004-02-04 | — | — | EP | claimed |
| EP-1174415-B1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PROD & CHEM (US) | 2003-10-22 | — | — | EP | claimed |
| US-6455728-B1 | REACTING METHYL-3-OXOPENTANOATE WTIH HYDROGEN FLUORIDE IN PRESENCE OF OXYGEN; BY-PRODUCT INHIBITION; CHEMICAL INTERMEDIATES FOR PRODUCING PHARMACEUTICALS | AIR PRODUCTS AND CHEMICALS, INC. | 2002-09-24 | — | — | US | claimed |
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |
| EP-1174415-A1 | High purity preparation of fluorinated 1,3-dicarbonyls using BDM (bis-fluoroxydifluoromethane) | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-01-23 | — | — | EP | claimed |
| US-6307105-B1 | ELECTROPHILICALLY FLUORINATING A BETA-DICARBONYL WITH BIS(FLUOROXY)DIFLUOROMETHANE IN THE PRESENCE OF AN ACID | AIR PRODUCTS AND CHEMICALS, INC. | 2001-10-23 | — | — | US | claimed |
| WO-2001068085-A1 | A METHOD FOR STIMULATION OF DEFENSIN PRODUCTION | GENAERA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |
| EP-1095928-A2 | Direct fluorination process for preparing high purity alpha-fluoro-beta-dicarbonyl compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-05-02 | — | — | EP | claimed |