⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344909 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL8782077 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL7526964 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL2528683 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL2532522 | 0.97 | ALDH1A1 (0.39) | — | |
| SCHEMBL1002493 | 0.95 | ALDH1A1 (0.38) | — | |
| SCHEMBL2949576 | 0.93 | MEN1 (0.41) | — | |
| SCHEMBL17800988 | 0.93 | ALDH1A1 (0.36) | — | |
| SCHEMBL2964622 | 0.93 | MEN1 (0.41) | — | |
| SCHEMBL188204 | 0.92 | — | — |
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 348 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160338917-A1 | Atomizing Spray for Grip Enhancement | Daniel, Christopher Michael (US) | 2016-11-24 | — | — | US | claimed |
| US-20140244229-A1 | Volatile Compound Fingerprint Atlas-Spectrum Model Used for Early Gastric Cancer Diagnosis/ Warning | SHANGHAI JIAO TONG UNIVERSITY (CN) | 2014-08-28 | — | — | US | claimed |
| CN-102495146-B | Compound fingerprint atlas model used in early-stage gastric cancer diagnosis/early warning, and establishing method thereof | UNIV SHANGHAI JIAOTONG | 2014-07-02 | — | — | CN | claimed |
| US-8461135-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2013-06-11 | — | — | US | claimed |
| CN-102258665-B | Inspection method of Chinese medicinal composition for treating cough and asthma | BEIJING ASIA EAST BIO PHARM CO | 2012-10-31 | — | — | CN | claimed |
| CN-102495146-A | Compound fingerprint atlas model used in early-stage gastric cancer diagnosis/early warning, and establishing method thereof | UNIV SHANGHAI JIAOTONG | 2012-06-13 | — | — | CN | claimed |
| EP-2401278-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC | Orchid Chemicals&Pharmaceuticals Limited (IN) | 2012-01-04 | — | — | EP | claimed |
| US-8039450-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2011-10-18 | — | — | US | claimed |
| WO-2010097686-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC | ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) | 2010-09-02 | — | — | WO | claimed |
| US-7766978-B2 | Acidic hair dyeing method | KOKYU ALCOHOL KOGYO CO., LTD. (JP) | 2010-08-03 | — | — | US | claimed |
| US-20090100609-A1 | ACIDIC HAIR DYE COMPOSITION | KOKYU ALCOHOL KOGYO CO., LTD. (JP) | 2009-04-23 | — | — | US | claimed |
| US-20050192411-A1 | Triazine compounds, polymers comprising triazine structural units, and method | GENERAL ELECTRIC CO. | 2005-09-01 | — | — | US | claimed |
| US-5679496-A | CONTAINING SULFONIUM SALT HAVING TERT-BUTOXYCARBONYLMETHOXY GROUP(S) AS ACID LABILE GROUPS; SENSITIVITY, RESOLUTION, ETCH AND HEAT RESISTANCE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-10-21 | — | — | US | claimed |
| CN-117897378-A | Plants with increased tolerance to herbicides | 巴斯夫农业种子解决方案美国有限责任公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-117751102-A | Herbicidal phenyluracils | 巴斯夫欧洲公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-112961102-B | Metal complex and electron transport material using the same | 大电株式会社 | 2024-03-12 | — | — | CN | disclosed |
| EP-0204111-A2 | Process for the preparation of 2,4-dinitrophenyl ethers | CASSELLA Aktiengesellschaft (DE) | 1986-12-10 | — | — | EP | disclosed |
| EP-0200955-A2 | Process for the preparation of 2,4-dinitrophenyl ethers | CASSELLA Aktiengesellschaft (DE) | 1986-11-12 | — | — | EP | disclosed |
| EP-0055196-B1 | PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1984-04-18 | — | — | EP | disclosed |
| US-4025641-A | INSECTICIDES, ACARICIDES | SANDOZ LTD. (CH) | 1977-05-24 | — | — | US | disclosed |