SCHEMBL17373265

SCHEMBL17373265

CC(C)(C(=O)O)C(O)(C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HMGCR P04035 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TET2 Q6N021 1/20 0.33
▸ TP53 P04637 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
SCHEMBL8431180 0.79 TSHR (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL85493 0.78 TSHR (0.57) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL10949463 0.76 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL5464435 0.76 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2555145 0.76 TSHR (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28635068 0.74 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL28635066 0.74 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL3112519 0.73 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL27667108 0.73 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL28302008 0.73 TSHR (0.53) TSHRALDH1A1HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157897-B1 INTEGRATED PROCESS FOR CO-PRODUCTION OF CARBOXYLIC ACIDS AND HALOGEN PRODUCTS FROM CARBON DIOXIDE AVANTIUM KNOWLEDGE CENTRE BV (NL) 2020-09-02 — — EP disclosed
US-20190017183-A1 System and Method for the Co-Production of Oxalic Acid and Acetic Acid AVANTIUM HOLDING B.V. (NL) 2019-01-17 — — US disclosed
EP-3427320-A1 SYSTEM AND METHOD FOR THE CO-PRODUCTION OF OXALIC ACID AND ACETIC ACID Avantium Holding B.v. (NL) 2019-01-16 — — EP disclosed
US-20170121831-A1 Integrated Process for Co-Production of Carboxylic Acids and Halogen Products from Carbon Dioxide LIQUID LIGHT, INC. 2017-05-04 — — US disclosed
EP-3157897-A1 INTEGRATED PROCESS FOR CO-PRODUCTION OF CARBOXYLIC ACIDS AND HALOGEN PRODUCTS FROM CARBON DIOXIDE Avantium Knowledge Centre B.V. (NL) 2017-04-26 — — EP disclosed
WO-2015195149-A1 INTEGRATED PROCESS FOR CO-PRODUCTION OF CARBOXYLIC ACIDS AND HALOGEN PRODUCTS FROM CARBON DIOXIDE LIQUID LIGHT, INC (US) 2015-12-23 — — WO disclosed
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