SCHEMBL2889586

SCHEMBL2889586

[O]C(=O)c1cc[nH]c1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL9528563 0.81 ALDH1A1 (0.43)
SCHEMBL153032 0.79
Water SCHEMBL334970 0.77
Hydrochloric Acid SCHEMBL2029775 0.77
Hydrochloric Acid SCHEMBL26932858 0.77 ALDH1A1 (0.50)
SCHEMBL368170 0.77
SCHEMBL2029770 0.77
SCHEMBL1374467 0.77
SCHEMBL28332423 0.77
SCHEMBL826860 0.77

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
EP-1365755-B1 USE OF PYRIMIDINE NUCLEOSIDES AND/OR THE PRODRUGS THEREOF FOR COMBATING THE SIDE-EFFECTS OF HAART (HIGHLY ACTIVE ANTI-RETROVIRAL THERAPY) AND OTHER ANTI-VIRAL THERAPIES PHARMA NORD APS (DK) 2008-10-22 EP disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
US-6992072-B2 Combating side-effects PHARMA NORD APS (DK) 2006-01-31 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-20040138157-A1 Combating side-effects PHARMA NORD APS (DK) 2004-07-15 US disclosed
WO-1999002549-A1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-21 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0508549-B1 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO CO (JP) 1995-04-26 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0347252-B1 METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0508549-A2 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO COMPANY LIMITED (JP) 1992-10-14 EP disclosed
US-5086057-A METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1992-02-04 US disclosed
US-5055479-A For enhancing activity of lipoprotein lipase enzymes SANKYO COMPANY, LIMITED (JP) 1991-10-08 US disclosed
EP-0347252-A2 Method of treating cachexia and certain new compounds for use in this method SANKYO COMPANY LIMITED (JP) 1989-12-20 EP disclosed