SCHEMBL9012228

SCHEMBL9012228

CC(=O)[N+](C)(C)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
LMNA P02545 4/20 0.52
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.52
CYP2D6 P10635 2/20 0.38
HIF1A Q16665 1/20 0.38
FFAR3 O14843 3/20 0.35
SLC15A2 Q16348 1/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
CYP2C19 P33261 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL27493498 0.75
SCHEMBL1763566 0.75
Betaine SCHEMBL19642750 0.73 TSHR (0.88) TSHRLMNAALDH1A1APEX1FFAR3
Hydrochloric Acid SCHEMBL11595785 0.73
Bromide SCHEMBL11714930 0.73
Betaine SCHEMBL399905 0.71 TSHR (1.00) TSHRLMNAALDH1A1APEX1FFAR3
Betaine SCHEMBL134333 0.71
SCHEMBL9905896 0.71 TSHR (0.65) TSHRLMNAALDH1A1APEX1FFAR3
SCHEMBL235857 0.71 TSHR (0.65) TSHRLMNAALDH1A1APEX1FFAR3
SCHEMBL13787051 0.71 TSHR (0.55) TSHRLMNAALDH1A1APEX1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024013194-A1 PROCESS FOR THE RECOVERY OF EPSILON-CAPROLACTAM AND POLYETHER POLYURETHANE FROM POLYAMIDE 6 AND POLYETHER POLYURETHANE COMPRISING MATERIALS CAP III B.V. (NL) 2024-01-18 WO disclosed
WO-2024013197-A1 PROCESS FOR THE RECOVERY OF EPSILON-CAPROLACTAM AND POLYETHER POLYURETHANE FROM NYLON 6 AND POLYETHER POLYURETHANE COMPRISING MATERIALS CAP III B.V. (NL) 2024-01-18 WO disclosed
EP-4306584-A1 PROCESS FOR THE RECOVERY OF EPSILON-CAPROLACTAM AND POLYETHER POLYURETHANE FROM NYLON 6 AND POLYETHER POLYURETHANE COMPRISING MATERIALS CAP III B.V. (NL) 2024-01-17 EP disclosed
EP-4306585-A1 PROCESS FOR THE RECOVERY OF EPSILON-CAPROLACTAM AND POLYETHER POLYURETHANE FROM POLYAMIDE 6 AND POLYETHER POLYURETHANE COMPRISING MATERIALS CAP III B.V. (NL) 2024-01-17 EP disclosed
EP-0395346-B1 Photosensitive composition FUJI PHOTO FILM CO LTD (JP) 1996-11-27 EP disclosed
US-5320928-A Lithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1994-06-14 US disclosed
US-5254432-A Photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1993-10-19 US disclosed
US-3959371-A Process for the purification of N,N-dimethylacetamide CUSTOM ORGANICS, INC. (US) 1976-05-25 US disclosed