SCHEMBL6980889

SCHEMBL6980889

[CH2]c1cccc(S)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
SCHEMBL63173 0.77
SCHEMBL150818 0.77
SCHEMBL28581942 0.74 IDO1 (0.38)
Benzene SCHEMBL10711738 0.74 IDO1 (0.38)
SCHEMBL9673849 0.71 IDO1 (0.42)
Hydrazine SCHEMBL11860025 0.71 CYP3A4 (0.37)
SCHEMBL1408877 0.70
SCHEMBL29769303 0.69 IDO1 (0.50)
SCHEMBL27090229 0.69 IDO1 (0.50)
SCHEMBL316960 0.67

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110785418-A Isoindolinone derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-11 CN disclosed
CN-110770229-A Benzofuran compounds as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-07 CN disclosed
CN-101687944-B Polar group-containing polyolefin polymer, process for producing the same, aqueous dispersion, and mold release agent composition MITSU CHEMICALS INC 2012-07-25 CN disclosed
CN-101687944-A Polar group-containing polyolefin polymer, process for producing the same, aqueous dispersion, and mold release agent composition MITSUI CHEMICALS INC 2010-03-31 CN disclosed
CN-100537573-C Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES (JP) 2009-09-09 CN disclosed
CN-1703415-A Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES (JP) 2005-11-30 CN disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
WO-1998030572-A1 PROCESSES FOR THE PREPARATION OF αGal(1→4)βGal(1→4)Glc-OR SYNSORB BIOTECH, INC. (CA) 1998-07-16 WO disclosed