⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29016 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6895702 | 0.84 | — | — | |
| Charcoal, Activated SCHEMBL7199313 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL1674715 | 0.80 | — | — | |
| SCHEMBL2798309 | 0.80 | — | — | |
| Fluoride SCHEMBL2648816 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL11460325 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8386129 | 0.80 | — | — | |
| Helium SCHEMBL20953787 | 0.80 | — | — | |
| SCHEMBL8967414 | 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311929-A | SECO Macrocyclic lactone compounds | 菲德尔塔公司 | 2019-02-05 | — | — | CN | claimed |
| CN-103992326-B | Indole hexahydropyrazine quinazolinone anti-tumor compounds and preparation method thereof | 中国人民解放军第二军医大学 | 2016-09-28 | — | — | CN | claimed |
| CN-103992326-A | Indol-hexahydropyrazine-quinazolinone anti-tumour compounds and preparation method thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-08-20 | — | — | CN | claimed |
| CN-117062607-A | Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof | 拉堤果生物医疗股份有限公司 | 2023-11-14 | — | — | CN | disclosed |
| US-20230107442-A1 | PROCESSING 1H-NMR SPECTRAL DATA | IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) | 2023-04-06 | — | — | US | disclosed |
| EP-4143734-A1 | <SUP2/>? <SUB2/>?1? ?PROCESSINGH-NMR SPECTRAL DATA | Imperial College Innovations Limited (GB) | 2023-03-08 | — | — | EP | disclosed |
| WO-2021219971-A1 | PROCESSING 1H-NMR SPECTRAL DATA | IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) | 2021-11-04 | — | — | WO | disclosed |
| CN-109311929-A | SECO Macrocyclic lactone compounds | 菲德尔塔公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-104884445-B | Benzamide | H.隆德贝克有限公司 | 2018-06-19 | — | — | CN | disclosed |
| CN-104371036-B | A kind of extraction preparation method and applications of sclerotia polysaccharide | 浙江工业大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-103992326-B | Indole hexahydropyrazine quinazolinone anti-tumor compounds and preparation method thereof | 中国人民解放军第二军医大学 | 2016-09-28 | — | — | CN | disclosed |
| CN-102827081-A | Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor | ARENA PHARM INC | 2012-12-19 | — | — | CN | disclosed |
| CN-101479248-B | Crystalline forms of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor and processes for their preparation | ARENA PHARM INC | 2012-09-05 | — | — | CN | disclosed |
| CN-101479248-A | Crystalline forms of phenyl-pyrazoles useful as modulators of the 5-HT 2A serotonin receptor and processes for their preparation | ARENA PHARM INC (US) | 2009-07-08 | — | — | CN | disclosed |
| US-7373256-B2 | Method for the identification of molecules and biomarkers using chemical, biochemical and biological data | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (ICSTM) (GB) | 2008-05-13 | — | — | US | disclosed |
| CN-101115701-A | Process for production of aromatic hydrocarbon | MASARU ICHIKAWA (JP) | 2008-01-30 | — | — | CN | disclosed |
| US-20070043518-A1 | Method for the identification of molecules and biomarkers using chemical, biochemical and biological data | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (ICSTM) (GB) | 2007-02-22 | — | — | US | disclosed |
| WO-2005122793-A1 | FOOD COMPOSITION WITH WINE EXTRACT AND GRAPE JUICE EXTRACT | UNILEVER N.V. (NL) | 2005-12-29 | — | — | WO | disclosed |
| CN-1411555-A | Determination of polypeptide characteristics by cleavage and mass spectrometry | BRAX GROUP LTD (GB) | 2003-04-16 | — | — | CN | disclosed |
| US-4900782-A | Stabilized polyelectrolyte precursors of poly(aromatic and heteroaromatic vinylenes) | ALLIED-SIGNAL INC. (US) | 1990-02-13 | — | — | US | disclosed |