SCHEMBL219759

SCHEMBL219759

C[CH]c1ccccc1F

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
SCHEMBL1547721 0.79 NFE2L2 (0.44)
SCHEMBL14162953 0.79 NFE2L2 (0.71)
SCHEMBL6804693 0.79 NFE2L2 (0.71)
SCHEMBL3434176 0.79 NFE2L2 (0.71)
SCHEMBL2234105 0.77 NFE2L2 (1.00)
SCHEMBL2118262 0.77 NFE2L2 (0.68)
SCHEMBL5412890 0.75 NFE2L2 (0.41)
SCHEMBL575116 0.74
SCHEMBL3713124 0.74 NFE2L2 (0.56)
SCHEMBL15353049 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 1564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-116987100-A Isothiazole bithiazolopyrimidine amine derivatives, and preparation method and application thereof 南开大学 2023-11-03 CN claimed
WO-2023055427-A1 SMALL MOLECULE ANTAGONISTS OF PF4 NEW YORK BLOOD CENTER, INC. (US) 2023-04-06 WO claimed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN claimed
CN-108264515-B Benzo [ def ] carbazole compounds and preparation method and application thereof 中国科学院上海药物研究所 2021-01-12 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
CN-110563943-A Bio-based polymer and preparation method thereof 中国科学院长春应用化学研究所 2019-12-13 CN claimed
US-5416119-A Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-05-16 US claimed
US-5414018-A Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1995-05-09 US claimed
WO-1995008531-A1 ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1995-03-30 WO claimed
US-5317039-A Renin inhibitors with peptides G. D. SEARLE & CO. (US) 1994-05-31 US claimed
US-5314920-A Renin inhibitors G. D. SEARLE & CO. (US) 1994-05-24 US claimed
US-5312838-A β-alanineamide aryl/alkylsulfide/sulfonyl-terminated amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1994-05-17 US claimed
US-5268391-A Cardiovascular disorders C. D. SEARLE & CO. (US) 1993-12-07 US claimed
US-5246969-A Oligopeptides as renin inhibitors G. D. SEARLE & CO. (US) 1993-09-21 US claimed
US-4243405-A HYDROXYALKYLTRIAZOLES AND DERIVATIVES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-06 US claimed
EP-0001682-A2 Heterocyclic compounds and their use as pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-05-02 EP claimed