SCHEMBL2405893

SCHEMBL2405893

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ACE P12821 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31

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
Octane SCHEMBL28921457 0.90 ACE2 (0.42) TDP1CA2MAPK1
SCHEMBL24045951 0.88 TDP1 (0.43) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL16758672 0.88 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1RNPEP
SCHEMBL1604899 0.85 TDP1 (0.42) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL14744488 0.85 TDP1 (0.42) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL14186592 0.85 TDP1 (0.42) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL27951378 0.85 CA1 (0.34) SLC1A3SLC1A2SLC1A1CA2
SCHEMBL28194808 0.83 TDP1 (0.40) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL27951379 0.82 CA1 (0.35) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL21496160 0.82 TDP1 (0.41) SLC1A3SLC1A2SLC1A1TDP1CHRM1

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 465 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115893344-B Method for preparing zinc phosphate from zinc-containing minerals 南京铜锌源环保科技有限公司 2024-07-16 CN claimed
CN-117624598-A VA type polyimide liquid crystal aligning agent, preparation method and application thereof 烟台显华高分子材料有限公司 2024-03-01 CN claimed
CN-114685793-B Polyamide-imide copolymer and film containing the same 律胜科技股份有限公司 2024-02-13 CN claimed
CN-116945710-A Laminated robot skin based on colorless transparent polyimide film 陕西中建建乐智能机器人股份有限公司 2023-10-27 CN claimed
CN-116789964-A Polyimide precursor, process for producing the same, photosensitive resin composition, and cured product 新应材股份有限公司 2023-09-22 CN claimed
CN-115893344-A Method for preparing zinc phosphate from zinc-containing mineral 南京铜锌源环保科技有限公司 2023-04-04 CN claimed
CN-112500803-B Polyimide adhesive film and preparation method and application thereof 中天电子材料有限公司 2023-01-06 CN claimed
CN-111892818-B Polyimide colorless transparent film and preparation method and application thereof 中天电子材料有限公司 2022-12-16 CN claimed
CN-114685793-A Polyamide-imide copolymer and film comprising same 律胜科技股份有限公司 2022-07-01 CN claimed
CN-112390949-B High-refractive-index polyimide light diffusant for epoxy resin 艾森半导体材料(南通)有限公司 2022-06-28 CN claimed
CN-105087018-B Aligning agent for liquid crystal, liquid crystal orientation film and its liquid crystal display cells 中节能万润股份有限公司 2018-01-19 CN claimed
CN-105778929-A Liquid crystal orientation agent, diamine compound and polyamide acid 深圳市道尔顿电子材料有限公司 2016-07-20 CN claimed
CN-103865264-B composition for flexible substrate and flexible substrate 奇美实业股份有限公司 2016-07-06 CN claimed
CN-105087018-A Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element YANTAI DEYING ELECTRONIC MATERIAL CO LTD 2015-11-25 CN claimed
CN-103980489-A Low-melt-viscosity thermoplastic polyimide material and 3D printing moulding method thereof CHINESE ACAD INST CHEMISTRY 2014-08-13 CN claimed
CN-103865264-A COMPOSITION FOR FLEXIBLE SUBSTRATE AND FLEXIBLE SUBSTRATE CHI MEI CORP 2014-06-18 CN claimed
CN-102382303-B Colorless and transparent polyimide resin material and preparation method thereof NINGBO INST MAT TECH & ENG CAS 2013-07-17 CN claimed
CN-100551952-C Photoactive polymer ROLIC AG (CH) 2009-10-21 CN claimed
CN-1491251-A Photoactive polymer 2004-04-21 CN claimed
WO-2002062873-A9 PHOTOACTIVE POLYMER ROLIC AG (CH) 2002-10-03 WO claimed