SCHEMBL28043323

SCHEMBL28043323

Cc1cn(CC(=O)O)cn1.F[B-](F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.49
PLAA Q9Y263 2/20 0.49
ALPG P10696 1/20 0.48
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GABRR1 P24046 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
AKR1B1 P15121 1/20 0.33
QPCT Q16769 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
SCHEMBL4832580 0.93 ALPL (0.54) ALPLPLAAALPGLMNAALDH1A1
Trifluoroacetic Acid SCHEMBL3593216 0.87 ALPL (0.47) ALPLPLAAALPGLMNAALDH1A1
SCHEMBL11997951 0.78 ALPL (0.54) ALPLPLAAALPGALDH1A1POLB
SCHEMBL1178916 0.77 ALPL (0.53) ALPLPLAAALPGLMNAQPCT
SCHEMBL25210345 0.76 CYP3A4 (0.42) ALPLPLAAALPGQPCT
SCHEMBL27815378 0.74 CYP3A4 (0.41) ALPLPLAAALPGQPCT
SCHEMBL2961993 0.74 ALPL (0.50) ALPLPLAAALPGALDH1A1KDM4E
SCHEMBL4969959 0.73 ALPL (0.65) ALPLPLAAALPGKDM4EPOLB
SCHEMBL28296899 0.73 ALPL (0.39) ALPLPLAAALPGQPCT
SCHEMBL3711683 0.72 RAB9A (0.54) ALPLPLAAALPGLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110112512-A Totally enclosed type metal-carbon dioxide battery and preparation method thereof 上海大学 2019-08-09 CN claimed
CN-104497268-B A kind of flame-retardant conductive polyurethane material and preparation method thereof 苏州市安特菲尔新材料有限公司 2017-07-14 CN claimed
CN-109860392-B Organic solar cell with functionalized graphene quantum dots as electron transport layer and preparation method thereof 桂林电子科技大学 2023-04-07 CN disclosed
CN-110112512-A Totally enclosed type metal-carbon dioxide battery and preparation method thereof 上海大学 2019-08-09 CN disclosed
CN-109860392-A A kind of organic solar batteries and preparation method thereof using functionalization graphene quantum dot as electron transfer layer 桂林电子科技大学 2019-06-07 CN disclosed
CN-105633284-B Make trans- organic solar batteries and the preparation of middle layer using Ionic Liquid Films 中国科学院大连化学物理研究所 2018-07-20 CN disclosed
CN-105633284-A Trans-organic solar cell with ionic liquid film as intermediate layer thereof, and process of preparing trans-organic solar cell DALIAN INST CHEMICAL PHYSICS CAS 2016-06-01 CN disclosed
CN-105024014-A Organic solar cell adopting ionic liquid film as interlayer DALIAN CHEMICAL PHYSICS INST 2015-11-04 CN disclosed