SCHEMBL20448233

SCHEMBL20448233

C=C(C)C(=O)OC(C)N.CS(=O)(=O)O

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 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
Sulfuric Acid SCHEMBL9219819 0.94 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL111244 0.89
SCHEMBL28533567 0.89 ALDH1A1 (0.40) ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL1344129 0.87 TSHR (0.45) ALDH1A1TSHRTDP1
Bromide SCHEMBL4441945 0.87 TSHR (0.45) ALDH1A1TSHRTDP1
Ammonia Solution, Strong SCHEMBL22612066 0.87 TSHR (0.45) ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL28562796 0.87 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL11101920 0.86 ALDH1A1 (0.62) ALDH1A1TSHRTDP1
Acetic Acid SCHEMBL10585011 0.85 TSHR (0.43) ALDH1A1TSHRTDP1
Chloromethane SCHEMBL5583237 0.85 TSHR (0.43) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475610-B Absorbent article 三大雅株式会社 2023-03-17 CN disclosed
EP-3357967-B1 ABSORBENT RESIN COMPOSITION AND METHOD FOR PRODUCING SAME SDP GLOBAL CO LTD (JP) 2021-01-13 EP disclosed
CN-108137895-B Water-absorbent resin composition and method for producing same 三大雅株式会社 2020-06-30 CN disclosed
US-10682625-B2 Absorbent resin composition and method for producing same SDP GLOBAL CO., LTD. (JP) 2020-06-16 US disclosed
CN-110475610-A Absorbent commodity SDP GLOBAL CO LTD 2019-11-19 CN disclosed
US-20180318792-A1 ABSORBENT RESIN COMPOSITION AND METHOD FOR PRODUCING SAME SDP GLOBAL CO., LTD. (JP) 2018-11-08 US disclosed
EP-3357967-A1 ABSORBENT RESIN COMPOSITION AND METHOD FOR PRODUCING SAME SDP Global Co., Ltd. (JP) 2018-08-08 EP disclosed
CN-108137895-A Water absorbency resin composition and its manufacturing method 三大雅株式会社 2018-06-08 CN disclosed