SCHEMBL3633101

SCHEMBL3633101

[CH2]CSc1ncccn1

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
SCHEMBL7812387 0.79 RAB9A (0.48)
SCHEMBL7805126 0.75 KMT2A (0.38)
SCHEMBL7812101 0.75 NPC1 (0.49)
SCHEMBL10771881 0.74 ALDH1A1 (0.50)
SCHEMBL3752404 0.72
SCHEMBL7563308 0.72
SCHEMBL4325251 0.72 ALDH1A1 (0.58)
SCHEMBL4685438 0.72
SCHEMBL7838204 0.72
SCHEMBL7561460 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790843-B1 C-19-halogen-substituted steroids of the androst-9(11)-ene-series, methods for the production and use thereof SCHERING AG (DE) 2004-09-14 US claimed
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US disclosed
US-6794366-B2 ERYTHRONOLIDE DERIVATIVES THAT CONTAIN MODIFICATIONS FROM THE NATIVE STRUCTURE AT POSITIONS 13, E.G., 15-(QUINOL-4-YL-ACETAMIDOERYTHROMYCIN A; BACTERICIDES; PRESERVATIVES KOSAN BIOSCIENCES, INC. 2004-09-21 US disclosed
US-6762168-B2 ANTIBACTERIAL COMPOUNDS. THE INVENTION CONCERNS MACROLIDE ANTIBIOTICS USEFUL AS ANTIINFECTIVE AGENTS. KOSAN BIOSCIENCES, INC. 2004-07-13 US disclosed
US-20030207821-A1 Macrolide antiinfective agents CHU DANIEL T W (US) 2003-11-06 US disclosed
US-6593302-B2 Antibiotics KOSAN BIOSCIENCES, INC. 2003-07-15 US disclosed
US-6514944-B2 Macrolide antibiotics containing an erythronolide nucleus modified at least at the substituent at C-13 KOSAN BIOSCIENCES, INC. 2003-02-04 US disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed
US-5470961-A 14 and/or 15-hydroxy 6,9 hemiacetal erythromycin derivatives TAKEDA CHEMICAL IND., LTD. (JP) 1995-11-28 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
WO-1995001351-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed
EP-0561413-A1 Erythromycin deriatives, preparation and use thereof Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5008249-A Administering anhydroerythromycin derivative KITASATO KENKYUSHO (JP) 1991-04-16 US disclosed
US-4948782-A A method of promoting the growth of domestic animals with erythromycin derivative containing composition KITASATO KENKYUSHO (JP) 1990-08-14 US disclosed
EP-0215355-A2 Erythromycin derivative and process for preparing the same KITASATO KENKYUSHO (JP) 1987-03-25 EP disclosed
EP-0213617-A2 Digestive tract contractile motion stimulant KITASATO KENKYUSHO (JP) 1987-03-11 EP disclosed