SCHEMBL9350412

SCHEMBL9350412

c1nnc(C2CCCCCCCCCCC2)c(C2CCCCCCCCCCC2)c1C1CCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.38
FFAR2 O15552 1/20 0.34
CEL P19835 2/20 0.33
CYP11B2 P19099 1/20 0.32
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
TYK2 P29597 3/20 0.31
JAK3 P52333 3/20 0.31
ALDH1A1 P00352 1/20 0.30
NOTUM Q6P988 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
SCHEMBL3101449 1.00 TDO2 (0.38) TDO2FFAR2CELCYP11B2JAK2
SCHEMBL28948825 0.74 TDO2 (0.39) TDO2CELCYP11B2JAK2JAK1
SCHEMBL21306225 0.74 HRH2 (0.33) TDO2CYP11B2JAK2JAK1TYK2
SCHEMBL2355698 0.71 CEL (0.37) TDO2FFAR2CELCYP11B2JAK2
SCHEMBL6396174 0.70 HRH2 (0.32) ALDH1A1
SCHEMBL10456696 0.69 FFAR2 (0.34) TDO2FFAR2CYP11B2ALDH1A1NOTUM
SCHEMBL11757350 0.65 EPHX2 (0.37) FFAR2JAK2JAK1JAK3
SCHEMBL10818372 0.64 PDE4A (0.33) TDO2CYP11B2ALDH1A1
SCHEMBL18167344 0.63 TDO2 (0.40) TDO2
SCHEMBL6040438 0.63 TDO2 (0.32) TDO2CEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414855-B2 Multifunctional polyamides for protective coatings HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2019-09-17 US disclosed
EP-3143067-A1 MULTIFUNCTIONAL POLYAMIDES FOR PROTECTIVE COATINGS Huntsman Advanced Materials Americas LLC (US) 2017-03-22 EP disclosed
US-20170051100-A1 MULTIFUNCTIONAL POLYAMIDES FOR PROTECTIVE COATINGS HUNTSMAN ADVANCED MATERIALS AMERICAS LLC 2017-02-23 US disclosed
WO-2015175583-A1 MULTIFUNCTIONAL POLYAMIDES FOR PROTECTIVE COATINGS HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2015-11-19 WO disclosed
US-5319004-A Good water resistance HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5017675-A Flexibility HOECHST AG (DE) 1991-05-21 US disclosed