SCHEMBL444674

SCHEMBL444674

[CH2]CCCN=C=S

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
SCHEMBL7155835 0.92
SCHEMBL17889889 0.89
SCHEMBL2228506 0.81
SCHEMBL484045 0.81 MIF (0.68)
SCHEMBL1854857 0.81
SCHEMBL7133119 0.78 NAAA (0.74)
SCHEMBL1233523 0.78 NAAA (0.74)
SCHEMBL330913 0.78 NAAA (0.74)
SCHEMBL2149597 0.78 NAAA (0.74)
SCHEMBL1999782 0.78 NAAA (0.74)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US claimed
CN-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 CN claimed
CN-102333568-B Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-01-20 CN claimed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US claimed
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 CN claimed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP claimed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO claimed
WO-2023145203-A1 POLYMER COMPOUND, REACTIVE COMPOUND, POLYMER CROSSLINKING AGENT, POLYMER MODIFIER, METHOD FOR FORMING A CROSSLINKED SECTION, METHOD FOR POLYMER MODIFICATION, AND METHOD FOR POLYMERIZING AND METHOD FOR DECOMPOSING POLYMER COMPOUND 国立研究開発法人科学技術振興機構 2023-08-03 WO disclosed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
CN-106146429-A The structure of isosulfocyanate precursor compound, prepare and apply 天津国际生物医药联合研究院 2016-11-23 CN disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
CN-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 CN disclosed
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO disclosed
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 CN disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed