SCHEMBL23388995

SCHEMBL23388995

CCCC[PH](CCCC)(CCCC)CCCO.CCC[PH](CCC)(CCC)CCCO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
ANPEP P15144 1/20 0.32
DNM1 Q05193 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
SCHEMBL22500950 0.95 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL25760 0.95 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL18965690 0.90 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL24419962 0.86 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL22500684 0.86 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL24424994 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNATSHRMEN1
Ethylene Glycol SCHEMBL3791681 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNATSHRMEN1
SCHEMBL3310464 0.86 TSHR (0.40) ALDH1A1SMN1; SMN2LMNATSHRTHRB
SCHEMBL2229358 0.86 TSHR (0.40) ALDH1A1SMN1; SMN2LMNATSHRTHRB
SCHEMBL3307638 0.86 TSHR (0.40) ALDH1A1SMN1; SMN2LMNATSHRTHRB

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
WO-2024076715-A1 METHODS AND COMPOSITIONS RELATING TO IMPROVED IONIC LIQUID ADJUVANTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-04-11 WO disclosed
EP-4142787-A1 METHODS AND COMPOSITIONS RELATING TO IONIC LIQUID ADJUVANTS President And Fellows Of Harvard College (US) 2023-03-08 EP disclosed
WO-2022271537-A1 COMPOSITIONS AND METHODS RELATING TO INJECTABLE MICROEMULSIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 WO disclosed
WO-2022265880-A1 IMPROVED METHODS AND COMPOSITIONS FOR DRUG DELIVERY RELATING TO IONIC LIQUIDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-22 WO disclosed
WO-2022256291-A1 HYDROGEL DEVICES FOR DRUG DELIVERY TO THE EAR PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-08 WO disclosed
WO-2021222196-A1 METHODS AND COMPOSITIONS RELATING TO IONIC LIQUID ADJUVANTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 WO disclosed
WO-2021102084-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-05-27 WO disclosed