SCHEMBL22028076

SCHEMBL22028076

C=C(C)C(=O)OCC.CCCCCCCCCCCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
DNM1 Q05193 6/20 0.50
THRB P10828 3/20 0.43
FAAH O00519 2/20 0.41
NAAA Q02083 1/20 0.38
THRA P10827 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16826283 1.00 TSHR (0.59) TSHRDNM1THRBFAAHNAAA
Dymanthine SCHEMBL29458568 1.00 TSHR (0.59) TSHRDNM1THRBFAAHNAAA
SCHEMBL16826393 1.00 TSHR (0.59) TSHRDNM1THRBFAAHNAAA
Dymanthine SCHEMBL9482671 0.98 TSHR (0.57) TSHRDNM1THRBFAAHNAAA
Bromide SCHEMBL28081763 0.98 TSHR (0.57) TSHRDNM1THRBFAAHNAAA
Bromide SCHEMBL307834 0.98 TSHR (0.57) TSHRDNM1THRBFAAHNAAA
Bromide SCHEMBL9481787 0.98 TSHR (0.57) TSHRDNM1THRBFAAHNAAA
Decane SCHEMBL27941727 0.88 TSHR (0.74) TSHRTHRBFAAHNAAATHRA
Hydrochloric Acid SCHEMBL9133862 0.87 TSHR (0.75) TSHRDNM1THRBNAAATHRA
Iodide SCHEMBL9578520 0.87 TSHR (0.65) TSHRDNM1THRBNAAATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11331939-B2 Recording media HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-05-17 US disclosed
US-20200180338-A1 RECORDING MEDIA HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2020-06-11 US disclosed