SCHEMBL1097688

SCHEMBL1097688

[CH2]CCCn1ccnc1

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
SCHEMBL28303304 0.98
SCHEMBL4685916 0.93 TBXAS1 (0.75)
SCHEMBL9640710 0.91 TBXAS1 (0.79)
SCHEMBL25320746 0.91 TBXAS1 (0.79)
SCHEMBL25315015 0.91 TBXAS1 (0.79)
SCHEMBL25322190 0.91 TBXAS1 (0.79)
SCHEMBL6267092 0.91 TBXAS1 (0.79)
SCHEMBL181658 0.86
SCHEMBL937596 0.85 TBXAS1 (0.95)
SCHEMBL9777196 0.85 TBXAS1 (0.85)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 CN claimed
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP claimed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US claimed
CN-101801949-A Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2010-08-11 CN claimed
EP-2183239-A1 SULFONAMIDES AS TRPM8 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-05-12 EP claimed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US claimed
CN-101423513-A Amine pyrimidine derivates, and production method thereof, and medicament composition and use INST MATERIA MEDICA CAMS (CN) 2009-05-06 CN claimed
WO-2009012430-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-22 WO claimed
US-7186710-B2 Phthalazinones ALTANA PHARMA AG (DE) 2007-03-06 US claimed
CN-1854130-A Chinazoline derivative, its production, medicinal composition and use PHARMACEUTICAL INST CHINA ACAD (CN) 2006-11-01 CN claimed
US-6846827-B1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-01-25 US claimed
EP-1226126-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2005-01-05 EP claimed
US-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders ALTANA PHARMA AG (DE) 2004-07-01 US claimed
EP-1385848-A2 PHTALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA Pharma AG (DE) 2004-02-04 EP claimed
WO-2002085906-A2 PHTHALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA PHARMA AG (DE) 2002-10-31 WO claimed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
CN-111182898-B Methods for treating huntington's disease PTC医疗公司 2024-04-16 CN disclosed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP disclosed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP disclosed