SCHEMBL163072

SCHEMBL163072

CCCCCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)SC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
ESR1 P03372 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MGLL Q99685 1/20 0.36
GPR35 Q9HC97 1/20 0.34
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
TBXA2R P21731 2/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5266444 0.92 TDP1 (0.66) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL11221647 0.90 TDP1 (0.54) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL11221680 0.88 TDP1 (0.56) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL11221657 0.86 TDP1 (0.54) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL11221708 0.86 TDP1 (0.54) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL29608839 0.84 TDP1 (0.53) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL20451 0.84 TDP1 (0.53) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL676763 0.84 TDP1 (0.53) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL27705250 0.83 TDP1 (0.53) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1
SCHEMBL1069925 0.82 TDP1 (0.54) TDP1ESR1CYSLTR2CYSLTR1ALDH1A1

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

Appears in 5037 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
US-12471599-B2 Agricultural compositions comprising remodeled nitrogen fixing microbes PIVOT BIO, INC. (US) 2025-11-18 US claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-4627920-A1 BINARY INSECTICIDE COMPOSITION AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2025-10-08 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
US-20250185667-A1 AGRICULTURAL COMPOSITIONS COMPRISING REMODELED NITROGEN FIXING MICROBES HSBC BANK USA, N.A. 2025-06-12 US claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20250143298-A1 PEST MANAGEMENT BIO-GENE TECHNOLOGY LIMITED (AU) 2025-05-08 US claimed
US-20250017207-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2025-01-16 US claimed
US-20080070785-A1 For controlling phytopathogenic diseases; synergistic SYNGENTA CROP PROTECTION, INC. (US) 2008-03-20 US claimed
US-20070244121-A1 Synergistic Fungicidal Compositions SYNGENTA CROP PROTECTION, INC. (US) 2007-10-18 US claimed
EP-1802198-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS Syngeta Participations AG (CH) 2007-07-04 EP claimed
EP-1796464-A1 FUNGICIDAL COMPOSITIONS Syngeta Participations AG (CH) 2007-06-20 EP claimed
EP-1778013-A1 FUNGICIDAL COMPOSITIONS Syngeta Participations AG (CH) 2007-05-02 EP claimed
WO-2007009661-A2 PESTICIDAL MIXTURES CONTAINING BICYCLIC ANTHRANILAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-01-25 WO claimed
WO-2006037632-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-13 WO claimed
WO-2006037633-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-13 WO claimed
WO-2006037634-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-13 WO claimed
WO-2006015865-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-02-16 WO claimed