SCHEMBL170531

SCHEMBL170531

COc1cc[c]o1

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
SCHEMBL3559683 0.73
SCHEMBL2041141 0.69
SCHEMBL769225 0.61
SCHEMBL861688 0.61
SCHEMBL11196353 0.61
SCHEMBL1483671 0.59
SCHEMBL9621966 0.59
SCHEMBL3035808 0.57
SCHEMBL974392 0.56
SCHEMBL8590756 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 US disclosed
EP-3018130-B1 FUSED HETEROCYCLIC COMPOUND AND PEST CONTROL USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-08-04 EP disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 US disclosed
CN-107652292-B Pesticidally active bicyclic or tricyclic heterocycles with sulfur-containing substituents 先正达参股股份有限公司 2020-11-17 CN disclosed
US-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
WO-2020071470-A1 PHTHALOCYANINE COMPOUND AND USE THEREOF 山本化成株式会社 2020-04-09 WO disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
WO-2000059901-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2000-10-12 WO disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
US-4226882-A Use of α,α'-dithiobis-(β-arylacrylic acid) derivatives in the treatment of hypertension MERRELL TORAUDE ET COMPAGNIE (FR) 1980-10-07 US disclosed
US-4210664-A Use of α,α'-dithiobis(β-arylacrylic acid) derivatives to enhance zinc serum and tissue concentrations MERRELL TORAUDE ET COMPAGNIE (FR) 1980-07-01 US disclosed
US-4210665-A Use of α,α'-dithiobis(β-arylacrylic acid) derivatives in heavy metal poisoning MERRELL TORAUDE ET COMPAGNIE (FR) 1980-07-01 US disclosed
US-4169149-A Use of α-mercapto-β-arylacrylic acid derivatives in heavy metal poisoning GIROUX EUGENE L 1979-09-25 US disclosed
US-4130653-A 2-MERCAPTO-3-ARYL ACRYLIC ACID MERRELL TORAUDE ET COMPAGNIE (FR) 1978-12-19 US disclosed
US-4053466-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, PLATELET AGGREGATION INHIBITORS KOHJIN CO., LTD. (JA) 1977-10-11 US disclosed