SCHEMBL9974590

SCHEMBL9974590

CC(CCC(C)CC(=O)O)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL15062351 0.92 BHMT (0.47) BHMTSLC22A6TDP1GABRPGABRD
SCHEMBL8419397 0.89 CYP1A2 (0.58) BHMTTDP1CYP1A2SMN1; SMN2FOLH1
SCHEMBL13741106 0.89 BHMT (0.46) BHMTSLC22A6TDP1GPR84
SCHEMBL425046 0.88 BHMT (0.48) BHMTSLC22A6TDP1GABRPGABRD
SCHEMBL14360558 0.88 BHMT (0.48) BHMTSLC22A6TDP1GABRPGABRD
SCHEMBL11022614 0.87 BHMT (0.44) BHMTSLC22A6TDP1GABRPGABRD
SCHEMBL14445570 0.87 BHMT (0.48) BHMTSLC22A6TDP1GABRPGABRD
SCHEMBL28936396 0.87 BHMT (0.53) BHMTSLC22A6TDP1GABRPGABRD
SCHEMBL14360563 0.87 GABRP (0.50) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL30066031 0.87 ACE2 (0.45) BHMTSLC22A6TDP1ADRA1AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120005152-A Method for synthesizing glycol-based polyester without catalyst and product thereof 浙江大学 2025-05-16 CN claimed
CN-120005152-A Method for synthesizing glycol-based polyester without catalyst and product thereof 浙江大学 2025-05-16 CN disclosed
US-9340691-B2 Hot melt ink composition comprising a copolyester and process for preparing a copolyester OCE-TECHNOLOGIES B.V. (NL) 2016-05-17 US disclosed
EP-2596960-B1 Reusable print medium and method of manufacturing thereof OCE TECH BV (NL) 2016-04-20 EP disclosed
US-8809432-B2 Reusable print medium and method of manufacturing thereof OCE TECHNOLOGIES B.V. (NL) 2014-08-19 US disclosed
EP-2726564-A2 HOT MELT INK COMPOSITION COMPRISING A COPOLYESTER AND PROCESS FOR PREPARING A COPOLYESTER OCE-Technologies B.V. (NL) 2014-05-07 EP disclosed
US-20140114013-A1 HOT MELT INK COMPOSITION COMPRISING A COPOLYESTER AND PROCESS FOR PREPARING A COPOLYESTER OCE-TECHNOLOGIES B.V. (NL) 2014-04-24 US disclosed
US-20130137805-A1 REUSABLE PRINT MEDIUM AND METHOD OF MANUFACTURING THEREOF OCE TECHNOLOGIES B.V. (NL) 2013-05-30 US disclosed
EP-2596960-A2 Reusable print medium and method of manufacturing thereof Océ-Technologies B.V. (NL) 2013-05-29 EP disclosed
WO-2013000761-A2 HOT MELT INK COMPOSITION COMPRISING A COPOLYESTER AND PROCESS FOR PREPARING A COPOLYESTER OCE-TECHNOLOGIES B.V. (NL) 2013-01-03 WO disclosed
US-20120156761-A1 BIOLOGICAL METHODS FOR PREPARING ADIPIC ACID VERDEZYNE, INC. (US) 2012-06-21 US disclosed