⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26539 | 1.00 | — | — | |
| SCHEMBL8419010 | 1.00 | — | — | |
| SCHEMBL352447 | 0.97 | LMNA (0.46) | — | |
| Ethylene Glycol SCHEMBL6241550 | 0.97 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL345863 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL351960 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL3772105 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL9488487 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL4779607 | 0.97 | LMNA (0.46) | — | |
| SCHEMBL1658809 | 0.97 | LMNA (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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160332940-A1 | PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS | PURDUE RESEARCH FOUNDATION (US) | 2016-11-17 | — | — | US | disclosed |
| US-9315848-B2 | Volatile organic compounds for detecting cell dysplasia and genetic alterations associated with lung cancer | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2016-04-19 | — | — | US | disclosed |
| US-20130143247-A1 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2013-06-06 | — | — | US | disclosed |
| US-8298798-B2 | Production of C5-C8 alcohols using evolved enzymes and metabolically engineered microorganisms | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-10-30 | — | — | US | disclosed |
| US-8298798-B2 | Production of C5-C8 alcohols using evolved enzymes and metabolically engineered microorganisms | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-10-30 | — | — | US | disclosed |
| US-8298798-B2 | Production of C5-C8 alcohols using evolved enzymes and metabolically engineered microorganisms | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-10-30 | — | — | US | disclosed |
| WO-2012023138-A2 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-02-23 | — | — | WO | disclosed |
| US-20110201083-A1 | PRODUCTION OF C5-C8 ALCOHOLS USING EVOLVED ENZYMES AND METABOLICALLY ENGINEERED MICROORGANISMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110201083-A1 | PRODUCTION OF C5-C8 ALCOHOLS USING EVOLVED ENZYMES AND METABOLICALLY ENGINEERED MICROORGANISMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110201083-A1 | PRODUCTION OF C5-C8 ALCOHOLS USING EVOLVED ENZYMES AND METABOLICALLY ENGINEERED MICROORGANISMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-08-18 | — | — | US | disclosed |
| EP-2266994-A1 | 2-propynyl adenosine analgos with modified 5'-ribose groups having A2A agonist activity | University Of Virginia Patent Foundation (US) | 2010-12-29 | — | — | EP | disclosed |
| US-5776365-A | COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST | MITSUI CHEMICALS, INC. (JP) | 1998-07-07 | — | — | US | disclosed |
| US-5725798-A | CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-10 | — | — | US | disclosed |
| US-5312564-A | Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same | CHISSO CORPORATION (JP) | 1994-05-17 | — | — | US | disclosed |
| US-4780242-A | BIPHENYL ESTERS | CHISSO CORPORATION (JP) | 1988-10-25 | — | — | US | disclosed |
| EP-0197677-A2 | Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same | Chisso Corporation (JP) | 1986-10-15 | — | — | EP | disclosed |