SCHEMBL18259308

SCHEMBL18259308

C=C(C)C(=O)OCC(C)OP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ADRA1D P25100 1/20 0.42
PTAFR P25105 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MAPT P10636 1/20 0.42
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
LMNA P02545 2/20 0.40
AKT1 P31749 2/20 0.40
ESR1 P03372 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CDC25A P30304 1/20 0.40
AGTR1 P30556 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL20401677 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL35785 0.82 SMN1; SMN2 (0.49) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL1225864 0.82 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL529986 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
Hydrochloric Acid SCHEMBL16429731 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL1261204 0.80 LMNA (0.54) TSHRSMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL423161 0.80 LMNA (0.57) TSHRSMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL3524266 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL2122717 0.78 LMNA (0.60) TSHRSMN1; SMN2ADRA1DPTAFRHTR1D
SCHEMBL2118062 0.78 LMNA (0.60) TSHRSMN1; SMN2ADRA1DPTAFRHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240318071-A1 PHOTORESPONSIVE MATERIAL AND PHOTORESPONSIVE COMPOSITION CANON KABUSHIKI KAISHA (JP) 2024-09-26 US disclosed
EP-4435016-A1 PHOTORESPONSIVE MATERIAL AND PHOTORESPONSIVE COMPOSITION CANON KABUSHIKI KAISHA (JP) 2024-09-25 EP disclosed
WO-2023100937-A1 PHOTORESPONSIVE MATERIAL AND PHOTORESPONSIVE COMPOSITION キヤノン株式会社 2023-06-08 WO disclosed
US-9798265-B2 Liquid developer CANON KABUSHIKI KAISHA (JP) 2017-10-24 US disclosed
US-20160349654-A1 LIQUID DEVELOPER CANON KABUSHIKI KAISHA (JP) 2016-12-01 US disclosed