SCHEMBL22820113

SCHEMBL22820113

C=C(C)C(=O)OCCOCC1COC(C)(C)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
THRB P10828 1/20 0.47
CA2 P00918 3/20 0.44
TSHR P16473 4/20 0.36
CA1 P00915 1/20 0.33
F10 P00742 1/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR7 P34969 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL378537 0.87 ALDH1A1 (0.65) ALDH1A1THRBCA2TSHRTMEM97
SCHEMBL14470792 0.87 ALDH1A1 (0.65) ALDH1A1THRBCA2TSHRTMEM97
SCHEMBL16840282 0.84 ALDH1A1 (0.50) ALDH1A1THRBCA2TSHRTMEM97
SCHEMBL673217 0.82 ALDH1A1 (0.72) ALDH1A1THRBCA2TSHRCA1
SCHEMBL1683307 0.81 ALDH1A1 (0.70) ALDH1A1THRBCA2TSHRCA1
SCHEMBL8390596 0.81 TSHR (0.46) ALDH1A1THRBCA2TSHRCA1
SCHEMBL4244160 0.79 THRB (0.56) ALDH1A1THRBCA2TSHRCA1
SCHEMBL10267320 0.79 THRB (0.40) ALDH1A1THRBCA2TSHRCA1
SCHEMBL18071037 0.78 CA2 (0.43) ALDH1A1CA2TSHRF10TMEM97
SCHEMBL15343422 0.77 CA2 (0.47) ALDH1A1CA2F10TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840593-B2 Composition comprising thermoassociative and exchangeable copolymers TOTAL MARKETING SERVICES (FR) 2023-12-12 US disclosed
US-11840593-B2 Composition comprising thermoassociative and exchangeable copolymers TOTAL MARKETING SERVICES (FR) 2023-12-12 US disclosed
US-20200399415-A1 COMPOSITION COMPRISING THERMOASSOCIATIVE AND EXCHANGEABLE COPOLYMERS TOTAL MARKETING SERVICES (FR) 2020-12-24 US disclosed
US-20200399412-A1 THERMOASSOCIATIVE AND EXCHANGEABLE COPOLYMERS, AND COMPOSITION COMPRISING SAME TOTAL MARKETING SERVICES (FR) 2020-12-24 US disclosed