SCHEMBL20451

SCHEMBL20451

C/C=C/C(=O)Oc1c(C(C)CCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.33
GRM8 O00222 1/20 0.32
GRM4 Q14833 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL676763 1.00 TDP1 (0.53) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL29608839 1.00 TDP1 (0.53) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL27705250 0.99 TDP1 (0.53) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL5245639 0.96 TDP1 (0.49) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL12676246 0.90 TDP1 (0.41) TDP1ESR1ALDH1A1MEN1LMNA
SCHEMBL9126412 0.88 TDP1 (0.44) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1852433 0.88 TDP1 (0.47) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1852435 0.88 TDP1 (0.47) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL11221680 0.85 TDP1 (0.56) TDP1ESR1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL1855877 0.85 ESR1 (0.37) TDP1ESR1ALDH1A1MGLLGAA

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 8672 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026105160-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2026-05-21 WO claimed
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
EP-4710766-A1 MIXTURES OF AMBRUTICIN WITH AT LEAST ONE FURTHER PESTICIDE BASF SE (DE) 2026-03-18 EP claimed
EP-4697936-A1 METHOD FOR THE PRODUCTION OF DIETARY FIBERS INTENDED FOR THE FOOD INDUSTRY Industrie Rolli Alimentari S.p.A. (IT) 2026-02-25 EP claimed
EP-4114183-B1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2026-02-25 EP claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
US-20250338849-A1 FUNGICIDAL MIXTURE COMPRISING SUBSTITUTED PYRIDINES BASF SE (DE) 2025-11-06 US claimed
WO-2025223904-A1 MIXTURES OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS WITH AT LEAST ONE FURTHER PESTICIDE I BASF SE (DE) 2025-10-30 WO claimed
EP-4640052-A1 MIXTURES OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS WITH AT LEAST ONE FURTHER PESTICIDE I BASF SE (DE) 2025-10-29 EP claimed
US-20070298970-A1 Method to reduce spray drift during application of pesticides and crop protection agents DOW AGROSCIENCES LLC (US) 2007-12-27 US claimed
WO-2007130514-A2 A METHOD TO REDUCE SPRAY DRIFT DURING APPLICATION OF PESTICIDES AND CROP PROTECTION AGENTS DOW AGROSCIENCES LLC (US) 2007-11-15 WO claimed
US-5656422-A HYDRATING A DRIED ENZYME TO PRODUCE HYDRATED ENZYME, CONTACTING WITH SAMPLE TO DETECT PRESENCE OF PHENOLIC PRODUCTS FORMED BY CLEAVAGE OF PHENOLIC ETHER BOND BY THE ENZYME IDAHO RESEARCH FOUNDATION, INC. (US) 1997-08-12 US claimed
EP-0449975-B1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1997-04-23 EP claimed
WO-1996011283-A1 COMPOSITIONS AND METHODS FOR DETECTION OF 2,4-DICHLOROPHENOXYACETIC ACID AND RELATED COMPOUNDS IDAHO RESEARCH FOUNDATION, INC. (US) 1996-04-18 WO claimed
US-5441743-A In thermoplastic or thermosetting binder BATTELLE MEMORIAL INSTITUTE (US) 1995-08-15 US claimed
EP-0584204-A1 MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1994-03-02 EP claimed
WO-1992020747-A1 MARINE COMPOSITIONS BEARING PREFERENTIALLY CONCENTRATED DOMAINS OF NON-TIN, ORGANO ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1992-11-26 WO claimed
EP-0449975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS. BATTELLE MEMORIAL INSTITUTE (US) 1991-10-09 EP claimed
WO-1990006975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1990-06-28 WO claimed