SCHEMBL9027487

SCHEMBL9027487

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 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
SCHEMBL8934056 0.78 TSHR (0.38) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL16863804 0.70 ACLY (0.40) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL9297602 0.69 TSHR (0.65) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL30689469 0.67 GGT1 (0.43) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL30689471 0.67 GGT1 (0.43) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL30689470 0.67 GGT1 (0.43) ALDH1A1TSHRFFAR1CPT2TDP1
Pivalate SCHEMBL23754639 0.66 TSHR (0.42) ALDH1A1TSHRFFAR1CPT2TDP1
Pivalate SCHEMBL5445290 0.66 TSHR (0.42) ALDH1A1TSHRFFAR1CPT2TDP1
Bicarbonate SCHEMBL5187608 0.66 TSHR (0.39) ALDH1A1TSHRFFAR1CPT2TDP1
SCHEMBL8934055 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549929-A SCREEN PRINTING ON SUBSTRATE HEATED COATING CONTAINING POLYMERIC BINDER, CROSSLINKER, CRYSTALLINE REACTIVE DILUENT, COOLING TO SOLIDIFY, HEATING TO CURE FERRO CORPORATION (US) 1996-08-27 US disclosed