SCHEMBL4907996

SCHEMBL4907996

C=CCCCC(C)(CO)CCCC=C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ABCC4 O15439 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
ALOX15 P16050 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
SCHEMBL20141310 0.88 TSHR (0.41) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL733134 0.81 TSHR (0.40) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL16203246 0.80 TSHR (0.35) TSHRALDH1A1ALOX15
SCHEMBL17669223 0.79 ALDH1A1 (0.39) TSHRALDH1A1ABCC4MAPTLMNA
Allyl Alcohol SCHEMBL28349785 0.76 TSHR (0.56) TSHR
SCHEMBL18191764 0.76 ALDH1A1 (0.36) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL25410498 0.75 MAPT (0.39) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL30517291 0.75 MAPT (0.39) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL4646715 0.75
SCHEMBL3123097 0.74 TSHR (0.41) TSHRALDH1A1ABCC4MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446437-B1 COMPOUNDS CONTAINING QUATERNARY CARBONS, MEDICAL DEVICES, AND METHODS MEDTRONIC INC (US) 2015-04-15 EP disclosed
US-20080064845-A9 Compounds containing quaternary carbons, medical devices, and methods MEDTRONIC, INC. (US) 2008-03-13 US disclosed
US-20060252905-A1 Compounds containing quaternary carbons, medical devices, and methods MEDTRONIC, INC. (US) 2006-11-09 US disclosed
US-7101956-B2 Compounds containing quaternary carbons, medical devices, and methods MEDTRONIC, INC. (US) 2006-09-05 US disclosed
EP-1446437-A1 COMPOUNDS CONTAINING QUATERNARY CARBONS, MEDICAL DEVICES, AND METHODS Medtronic, Inc. (US) 2004-08-18 EP disclosed
US-20030125499-A1 Compounds containing quaternary carbons, medical devices, and methods MEDTRONIC, INC. 2003-07-03 US disclosed
WO-2003042273-A1 COMPOUNDS CONTAINING QUATERNARY CARBONS, MEDICAL DEVICES, AND METHODS MEDTRONIC, INC. (US) 2003-05-22 WO disclosed