SCHEMBL864865

SCHEMBL864865

[O-][n+]1ncccc1S

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
SCHEMBL11713219 0.73 LMNA (0.43)
SCHEMBL11063868 0.70
SCHEMBL1735272 0.70
SCHEMBL11669250 0.70
SCHEMBL9663501 0.65
SCHEMBL17375235 0.63
SCHEMBL11678041 0.62
SCHEMBL11632250 0.62
SCHEMBL18093520 0.61 KDM4E (0.48)
Pyrithione SCHEMBL7621416 0.60 LMNA (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4041033-A ANTIMICROBIALS, ESPECIALLY IN SKIN CLEANSING DETERGENTS, SHAMPOOS, HAIR DRESSINGS COLGATE-PALMOLIVE COMPANY (US) 1977-08-09 US claimed
US-3966928-A HAIR AND SKIN CONDITIONERS COLGATE-PALMOLIVE COMPANY (US) 1976-06-29 US claimed
US-8338338-B2 Formulations comprising triazoles and alkoxylated amines JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-25 US disclosed
US-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-03-29 US disclosed
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO disclosed
US-20100099724-A1 Formulations Comprising Triazoles and Alkoxylated Amines JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-22 US disclosed
US-7662748-B2 Such as azaconazole, bromuconazole, and N,N',N'-tris(2-hydroxyethyl)-N-cocoalkyl-1,3-diamino-propane; kits; for protection of crops, plants, fruits, seeds, wood products, thatch, biodegradable material and textiles JANSSEN PHARMACEUTICA, N.V. (BE) 2010-02-16 US disclosed
EP-2007199-A2 ANTIMICROBIAL COMPOSITIONS, METHODS AND SYSTEMS Elevance Renewable Sciences, Inc. (US) 2008-12-31 EP disclosed
WO-2008140469-A2 ANTIMICROBIAL COMPOSITIONS, METHODS AND SYSTEMS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2008-11-20 WO disclosed
US-20080033026-A1 Antimicrobial compositions, methods and systems ELEVANCE RENEWABLE SCIENCES, INC. 2008-02-07 US disclosed
US-4052554-A BACTERICIDE E. R. SQUIBB & SONS, INC. (US) 1977-10-04 US disclosed
US-4049651-A Alkoxy and alkylthioalkylureido cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-09-20 US disclosed
US-4041033-A ANTIMICROBIALS, ESPECIALLY IN SKIN CLEANSING DETERGENTS, SHAMPOOS, HAIR DRESSINGS COLGATE-PALMOLIVE COMPANY (US) 1977-08-09 US disclosed
US-4041033-A ANTIMICROBIALS, ESPECIALLY IN SKIN CLEANSING DETERGENTS, SHAMPOOS, HAIR DRESSINGS COLGATE-PALMOLIVE COMPANY (US) 1977-08-09 US disclosed
US-4028354-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1977-06-07 US disclosed
US-3996218-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3966928-A HAIR AND SKIN CONDITIONERS COLGATE-PALMOLIVE COMPANY (US) 1976-06-29 US disclosed
US-3966928-A HAIR AND SKIN CONDITIONERS COLGATE-PALMOLIVE COMPANY (US) 1976-06-29 US disclosed