SCHEMBL1067668

SCHEMBL1067668

N#CC1OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
TSHR P16473 1/20 0.32
CHRM2 P08172 3/20 0.32
CHRM4 P08173 3/20 0.32
CHRM1 P11229 3/20 0.32
CHRM3 P20309 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
CHRM5 P08912 2/20 0.30
MAOB P27338 4/20 0.30
MAOA P21397 3/20 0.30

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
SCHEMBL19342868 0.75 PIM1 (0.41) PIM1SIGMAR1
SCHEMBL24388705 0.75 CYP3A4 (0.32) TSHR
SCHEMBL4959690 0.69 CFTR (0.32)
SCHEMBL63455 0.67 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL6129709 0.67 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL27890860 0.67 CHRM2 (0.37) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL4795914 0.66 SIGMAR1 (0.31) SIGMAR1
SCHEMBL14851373 0.65 CFTR (0.32) PIM1MAOBMAOA
SCHEMBL7108506 0.64 CHRM2 (0.49) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL3971547 0.64 CHRM2 (0.49) TSHRCHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US claimed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US claimed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO claimed
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
CN-1251991-A Carboxylic acid derivatives, their preparation and their use in cancer therapy BASF AG (DE) 2000-05-03 CN disclosed
US-6030975-A ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0969841-A1 USE OF CARBOXYLIC ACID DERIVATIVES FOR TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
WO-1998041206-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE IN TREATING CANCER BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
EP-0785926-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-30 EP disclosed
WO-1996011914-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-04-25 WO disclosed
US-3975431-A Preparing carboxylic acids from glycidonitriles through enol acylates THE UPJOHN COMPANY (US) 1976-08-17 US disclosed