SCHEMBL22775619

SCHEMBL22775619

CC(C)(C)OOOC(=O)C1CCCCCCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9344467 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL29120025 0.98 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL194560 0.90 ALDH1A1 (0.34) ADRB2ADRB1ADRB3SMN1; SMN2ALDH1A1
SCHEMBL22775616 0.88 CES2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL382062 0.88 CES2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL382706 0.86 ADRB2 (0.40) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL3635120 0.83 LMNA (0.35) ADRB2ADRB1ADRB3SMN1; SMN2ALDH1A1
SCHEMBL2415660 0.82 EPHX1 (0.36) ADRB2ADRB1ADRB3ALDH1A1HSD17B10
SCHEMBL382048 0.82 SMN1; SMN2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2CES2
SCHEMBL573198 0.81 CES2 (0.50) ADRB2ADRB1ADRB3SMN1; SMN2CES2

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
US-20240018083-A1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM WITH CO-PRODUCTION OF ALKALI METAL SALT NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2024-01-18 US disclosed
EP-4255883-A1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM WITH CO-PRODUCTION OF ALKALI METAL SALT Nouryon Chemicals International B.V. (NL) 2023-10-11 EP disclosed
EP-3983340-B1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM NOURYON CHEMICALS INT BV (NL) 2023-08-02 EP disclosed
US-20220306490-A1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-09-29 US disclosed
WO-2022117439-A1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM WITH CO-PRODUCTION OF ALKALI METAL SALT NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-06-09 WO disclosed
EP-3983340-A1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM Nouryon Chemicals International B.V. (NL) 2022-04-20 EP disclosed
WO-2020249692-A1 METHOD FOR ISOLATING CARBOXYLIC ACID FROM AN AQUEOUS SIDE STREAM NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-12-17 WO disclosed