SCHEMBL6685907

SCHEMBL6685907

C=C(C(=O)OCCCC)C(O)CCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
ACHE P22303 6/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL9352894 0.92 TSHR (0.45) TSHRALDH1A1HPGDATMNAAA
SCHEMBL5252175 0.90 TSHR (0.49) TSHRALDH1A1HPGDATMNAAA
SCHEMBL6684035 0.89 TSHR (0.46) TSHRALDH1A1HPGDATMNAAA
SCHEMBL6676093 0.87 TSHR (0.51) TSHRNAAAACHEGPR84FFAR1
SCHEMBL20787946 0.86 TSHR (0.54) TSHRNAAAACHEGPR84FFAR1
SCHEMBL6687641 0.84 TSHR (0.53) TSHRNAAAACHEGPR84FFAR1
SCHEMBL6680052 0.84 TSHR (0.53) TSHRNAAAACHEGPR84FFAR1
SCHEMBL22389549 0.84 TSHR (0.53) TSHRNAAAACHEGPR84FFAR1
SCHEMBL6685027 0.84 TSHR (0.53) TSHRNAAAACHEGPR84FFAR1
SCHEMBL6686874 0.84 TSHR (0.53) TSHRNAAAACHEGPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004046803-A1 LIQUID CRYSTAL DEVICES WITH REDUCED SURFACE ANCHORING ENERGY QINETIQ LIMITED (GB) 2004-06-03 WO disclosed
EP-1046078-A1 LIQUID CRYSTAL DEVICE ALIGNMENT Hewlett-Packard Company (US) 2000-10-25 EP disclosed
WO-1999018474-A1 LIQUID CRYSTAL DEVICE ALIGNMENT HEWLETT-PACKARD COMPANY (US) 1999-04-15 WO disclosed