SCHEMBL4425053

SCHEMBL4425053

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nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TET2 Q6N021 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
FFAR3 O14843 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2932467 1.00 TSHR (0.45) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL581582 0.77
SCHEMBL79613 0.77
SCHEMBL2327762 0.77
SCHEMBL4963143 0.77 TSHR (0.50) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL126425 0.76 HMGCR (0.55) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL13686398 0.76 ALDH1A1 (0.43) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL4381836 0.74 TSHR (0.40) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL6755733 0.74
SCHEMBL9247690 0.74 TSHR (0.40) TSHRALDH1A1TET2HMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787900-B2 Biodegradable sustainable polyesters MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-10-17 US claimed
US-20230151142-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-05-18 US claimed
WO-2023081515-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-11 WO claimed
US-11787900-B2 Biodegradable sustainable polyesters MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-10-17 US disclosed
US-20230151142-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-05-18 US disclosed
WO-2023081515-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-11 WO disclosed
WO-2018157942-A1 CELL-FREE SYNTHESIS OF ISOTOPIC LABELLED PROTEINS FROM AMINO-ACIDS PRECURSORS NMR - BIO (FR) 2018-09-07 WO disclosed
US-8311790-B2 Reverse engineering genome-scale metabolic network reconstructions for organisms with incomplete genome annotation and developing constraints using proton flux states and numerically-determined sub-systems UNIVERSITY OF DELAWARE (US) 2012-11-13 US disclosed
US-20090259451-A1 REVERSE ENGINEERING GENOME-SCALE METABOLIC NETWORK RECONSTRUCTIONS FOR ORGANISMS WITH INCOMPLETE GENOME ANNOTATION AND DEVELOPING CONSTRAINTS USING PROTON FLUX STATES AND NUMERICALLY-DETERMINED SUB-SYSTEMS UNIVERSITY OF DELAWARE (US) 2009-10-15 US disclosed