⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL5027721 | 0.94 | — | — | |
| SCHEMBL7196734 | 0.91 | ALDH1A1 (0.35) | — | |
| Methyl Alcohol SCHEMBL27301818 | 0.91 | CA1 (0.41) | — | |
| SCHEMBL6139750 | 0.86 | CA1 (0.38) | — | |
| Acetonitrile SCHEMBL8083265 | 0.84 | ALDH1A1 (0.31) | — | |
| Acetaldehyde SCHEMBL6632642 | 0.84 | TSHR (0.31) | — | |
| Acetone SCHEMBL20186006 | 0.84 | CA1 (0.36) | — | |
| SCHEMBL6853752 | 0.82 | — | — | |
| Acetic Acid SCHEMBL17964267 | 0.82 | PTGS1 (0.38) | — | |
| SCHEMBL6632764 | 0.80 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1950354-A | Process for the preparation of N-sulfonylated amino acid derivatives | MERCK & CO INC (US) | 2007-04-18 | — | — | CN | claimed |
| CN-102414291-A | Process for preparing L-menthyl (3S) -3-hydroxybutyrate and sensory stimulating compositions | TAKASAGO PERFUMERY CO LTD | 2012-04-11 | — | — | CN | disclosed |
| CN-102414290-A | l-menthyl (3R) -3-hydroxybutyrate, method for preparing the same, and sensory stimulation composition comprising the same | TAKASAGO PERFUMERY CO LTD | 2012-04-11 | — | — | CN | disclosed |
| CN-101060963-A | Method for producing crosslinked foamed molded article | JSR CORP (JP) | 2007-10-24 | — | — | CN | disclosed |
| CN-1984877-A | Formation of tetra-substituted enamides and stereoselective reduction thereof | MERCK & CO INC (US) | 2007-06-20 | — | — | CN | disclosed |
| CN-1950354-A | Process for the preparation of N-sulfonylated amino acid derivatives | MERCK & CO INC (US) | 2007-04-18 | — | — | CN | disclosed |
| CN-1311011-C | Resin molded article and processed article thereof | JSR CORP (JP) | 2007-04-18 | — | — | CN | disclosed |
| CN-1898304-A | Method for bonding polybutadiene molded article, polybutadiene composite molded article obtained by the method, medical member, and infusion device | JSR CORP (JP) | 2007-01-17 | — | — | CN | disclosed |
| CN-1275932-C | Polymerizable compound, polymerizable composition and cured product containing the compound | SHOWA DENKO KK (JP) | 2006-09-20 | — | — | CN | disclosed |
| CN-1701089-A | Resin molded article and processed article thereof | JSR CORP (JP) | 2005-11-23 | — | — | CN | disclosed |
| CN-1223616-C | 1, 2-polybutadiene, thermoplastic elastomer composition and polymer composition | JSR CORP (JP) | 2005-10-19 | — | — | CN | disclosed |
| CN-1671750-A | Process for producing crystalline 1, 2-polybutadiene | JSR CORP (JP) | 2005-09-21 | — | — | CN | disclosed |
| CN-1533373-A | Polymerizable compound, polymerizable composition containing the same, and cured product | 昭和电工株式会社 | 2004-09-29 | — | — | CN | disclosed |
| CN-1511176-A | Oil extended 1,2-polybutadiene and method of manufacturing polybutadiene, and composition and formed product thereof | JSR株式会社 | 2004-07-07 | — | — | CN | disclosed |
| CN-1454221-A | 1, 2-polybutadiene, thermoplastic elastomer composition and polymer composition | JSR CORP (JP) | 2003-11-05 | — | — | CN | disclosed |
| WO-2003010124-A1 | POLYMERIZABLE COMPOUND, polymeRIZABLE COMPOSITION AND CURED PRODUCT CONTAINING THE COMPOUND | SHOWA DENKO K. K. (JP) | 2003-02-06 | — | — | WO | disclosed |