⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL1345637 | 1.00 | ALDH1A1 (0.37) | — | |
| SCHEMBL28023093 | 0.90 | ALDH1A1 (0.39) | — | |
| Water SCHEMBL461938 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL28488777 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7078366 | 0.82 | — | — | |
| Water SCHEMBL10659521 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL1190178 | 0.82 | — | — | |
| SCHEMBL4820393 | 0.82 | — | — | |
| SCHEMBL1925147 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL30581185 | 0.82 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108913201-A | A kind of crude oil demulsifier and preparation method thereof | 武汉工程大学 | 2018-11-30 | — | — | CN | claimed |
| CN-108865220-A | A kind of chitosan class oil-in-water type crude oil demulsifier and preparation method thereof | 武汉工程大学 | 2018-11-23 | — | — | CN | claimed |
| WO-2016059548-A1 | PROCESSES FOR THE PREPARATION OF DABRAFENIB | MYLAN LABORATORIES LTD (IN) | 2016-04-21 | — | — | WO | claimed |
| US-20080312430-A1 | Method of Preparing or Synthesizing Polyazamacrocycle Derivatives | THERAPHARM GMBH (CH) | 2008-12-18 | — | — | US | claimed |
| EP-1812453-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | Therapharm GmbH (CH) | 2007-08-01 | — | — | EP | claimed |
| WO-2006045546-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | THERAPHARM GMBH (CH) | 2006-05-04 | — | — | WO | claimed |
| US-4000139-A | ERGOT ALKALOID INTERMEDIATES | SANDOZ LTD. (CH) | 1976-12-28 | — | — | US | claimed |
| CN-113862705-A | Electrochemical synthesis method of 2-aryl-3-halo-2H-indazole compound | 浙江工业大学 | 2021-12-31 | — | — | CN | disclosed |
| US-20200339622-A1 | METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST | DIPHARMA FRANCIS S.R.L. (IT) | 2020-10-29 | — | — | US | disclosed |
| US-10752654-B2 | Method for preparing a farnesoid X receptor agonist | DIPHARMA FRANCIS S.R.L. (IT) | 2020-08-25 | — | — | US | disclosed |
| US-20190106455-A1 | METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST | DIPHARMA FRANCIS S.R.L. (IT) | 2019-04-11 | — | — | US | disclosed |
| EP-3440092-A1 | METHOD FOR PREPARING A FARNESOID X RECEPTOR AGONIST | Dipharma Francis S.r.l. (IT) | 2019-02-13 | — | — | EP | disclosed |
| CN-108913201-A | A kind of crude oil demulsifier and preparation method thereof | 武汉工程大学 | 2018-11-30 | — | — | CN | disclosed |
| US-5316935-A | Subtilisin variants suitable for hydrolysis and synthesis in organic media | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1994-05-31 | — | — | US | disclosed |
| US-4513082-A | HYDROXYARYLSULFONYL COPULERS | FUJI PHOTO FILM CO., LTD. (JP) | 1985-04-23 | — | — | US | disclosed |
| EP-0015773-B1 | N-(6-((ACYLAMINOACYLAMINO OR AMINOACYLAMINO)PHENYL) 1,2-DIHYDRO-2-OXONICOTINYL)PENICILLIN COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING THEM | WARNER-LAMBERT COMPANY (US) | 1983-07-20 | — | — | EP | disclosed |
| US-4326068-A | Process of preparing hexafluorothioacetone dimer | ALLIED CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |
| US-4278681-A | N-/6-//ACYLAMINOACYLAMINO OR AMINOACYLAMINO/PHENYL/-1,2-DIHYDRO-2-OXONICOTINYL/PENICILLINS | WARNER-LAMBERT CO. (US) | 1981-07-14 | — | — | US | disclosed |
| EP-0015773-A2 | N-(6-((acylaminoacylamino or aminoacylamino)phenyl) 1,2-dihydro-2-oxonicotinyl)penicillin compounds, processes for their production and compositions containing them | WARNER-LAMBERT COMPANY (US) | 1980-09-17 | — | — | EP | disclosed |
| US-4006138-A | A CEPHALOSPORIN ANTIBIOTIC | ELI LILLY AND COMPANY (US) | 1977-02-01 | — | — | US | disclosed |