SCHEMBL8442005

SCHEMBL8442005

CC(O)CNN(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.32
SLC29A1 Q99808 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
SCHEMBL7765334 0.77 TSHR (0.40) TDP1
SCHEMBL579539 0.76 ALDH1A1 (0.35)
SCHEMBL17567122 0.75 TSHR (0.32) TDP1
Trolamine SCHEMBL4602325 0.71 TDP1 (0.35) TDP1MAPTSLC29A1
SCHEMBL5999892 0.71 TDP1 (0.31) TDP1
SCHEMBL1903527 0.69
SCHEMBL1456137 0.69 MAPT (0.38) MAPT
SCHEMBL3104555 0.66 MAPT (0.33) MAPT
SCHEMBL465773 0.66
SCHEMBL1830703 0.65 SLC29A1 (0.36) MAPTSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5961966-A USEFUL AS FABRIC SOFTENING PRODUCTS, LAUNDERING PRODUCTS, HOUSEHOLD CLEANING PRODUCTS AND PERSONAL HAIR AND SKIN CARE PRODUCTS. ESPECIALLY DISTEAROYLETHYL 2-HYDROXYPROPYLMONIUM METHOSULFATE. CRODA, INC. (US) 1999-10-05 US claimed