SCHEMBL29540341

SCHEMBL29540341

CC(C)(C)CC(O)CCO.CC(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30
GABRQ Q9UN88 2/20 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
SCHEMBL819343 0.85 THRB (0.48) THRB
SCHEMBL1478232 0.77 THRB (0.40) THRBTP53GABRPGABRDGABRA1
SCHEMBL6229980 0.77 THRB (0.40) THRBTP53GABRPGABRDGABRA1
SCHEMBL28322374 0.75 ACACB (0.47) THRBACACBACACA
1,3-Butanediol SCHEMBL11041309 0.73 TP53 (0.43) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL28253490 0.73 RNPEP (0.37) TP53
SCHEMBL6139393 0.73 RNPEP (0.37) TP53
SCHEMBL29188160 0.72 TP53 (0.38) TP53
SCHEMBL11442667 0.72 TP53 (0.38) TP53
Trimethylammonium SCHEMBL27654119 0.72 THRB (0.36) THRBTP53GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101277-A1 WATER-BASED TPO ADHESIVE WITH ONE-SIDE APPLICATION FRANKLIN INTERNATIONAL, INC. (US) 2025-03-27 US disclosed
CN-118648068-A Conductive paste 东丽株式会社 2024-09-13 CN disclosed
CN-111712548-B Paint composition containing water glass 科莱恩国际有限公司 2022-05-27 CN disclosed
CN-111655798-B Paint composition containing water glass 科莱恩国际有限公司 2022-05-24 CN disclosed