SCHEMBL8581997

SCHEMBL8581997

CCO[PH](=O)OCC.COCc1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.40
ACHE P22303 3/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 2/20 0.36
PRTN3 P24158 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
Phosphonic Acid SCHEMBL9638832 0.89 ELANE (0.45) ELANEACHECYP3A4
SCHEMBL9430891 0.86 CYP3A4 (0.48) ACHEFFAR1CYP3A4
SCHEMBL5164455 0.84 ELANE (0.38) ELANE
SCHEMBL5159822 0.82 ELANE (0.37) ELANEPPARAPRTN3CYP3A4
SCHEMBL8583458 0.82 IDO1 (0.53)
SCHEMBL19645152 0.76 ELANE (0.45) ELANEACHEPPARGPPARAPRTN3
SCHEMBL1035696 0.74 ELANE (0.53) ELANEACHECYP3A4
Phosphonic Acid SCHEMBL9616589 0.73 CYP3A4 (0.54) ACHECYP3A4
SCHEMBL1033055 0.73 ELANE (0.51) ELANEACHECYP3A4
SCHEMBL7861598 0.72 CYP3A4 (0.61) ACHECYP3A4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 WO claimed
EP-0497972-B1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX INC (US) 1998-12-23 EP disclosed
US-5831102-A HEAT RESISTANCE; STABILITY TROPIX, INC. (US) 1998-11-03 US disclosed
US-5763681-A ALPHA-2-ADAMANTYLIDENE-ALPHA-METHOXY-META-METHOXYTOLUENE AND RELATED COMPOUNDS AS INTERMEDIATES TROPIX, INC. (US) 1998-06-09 US disclosed
US-5543295-A ENZYMATICALLY CLEAVABLE; ANALYZING TROPIX, INC. (US) 1996-08-06 US disclosed
US-5362916-A Synthesis of mercaptaryl or hydroxyaryl enol ether alkali metal salts TROPIX, INC. (US) 1994-11-08 US disclosed
US-5330900-A Chemiluminescent 3-(substituted adamant-2'-ylidene) 1,2-dioxetanes TROPIX, INC. (US) 1994-07-19 US disclosed
US-5326882-A High speed bioassay TROPIX, INC. (US) 1994-07-05 US disclosed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US disclosed
EP-0497972-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-08-12 EP disclosed
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP disclosed
US-5112960-A Enzyme cleavable 1,2-dioxetane compound APPLIED BIOSYSTEMS, LLC 1992-05-12 US disclosed
WO-1992004341-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-03-19 WO disclosed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP disclosed
WO-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 WO disclosed