SCHEMBL8941476

SCHEMBL8941476

C=C(C)C(=O)OC(C)Cl.CCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL112378 0.86
SCHEMBL21714544 0.85 TSHR (0.44) TSHRALDH1A1THRBCHRM2CHRM4
Trimethylammonium SCHEMBL491183 0.84 TSHR (0.42) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL9719298 0.84 TSHR (0.45) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL6276653 0.84 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL3884051 0.79 APOBEC3A (0.33) TSHRCHRM2CHRM1CHRM3
SCHEMBL1081058 0.78 SCN1A (0.42) TSHRALDH1A1THRBCHRM2CHRM4
Dimethylaminoethanol SCHEMBL3431748 0.77 MAPT (0.40) TSHRALDH1A1
SCHEMBL9936902 0.76 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL16597270 0.76 TSHR (0.42) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1167305-A None JP disclosed
CN-119899653-A Fracturing fluid thickener, preparation method thereof, fracturing fluid and application 中石化石油工程技术服务股份有限公司 2025-04-29 CN disclosed
CN-113394453-B Electrolyte additive, electrolyte and secondary battery 比亚迪股份有限公司 2023-05-09 CN disclosed
US-5529877-A Microcapsule toner and processes for preparation of microcapsule and microcapsule toner FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed
JP-H01167305-A PRODUCTION OF LOW-MOLECULAR WEIGHT WATER-SOLUBLE POLYMER KAO CORP 1989-07-03 JP disclosed