Acetoacetic Acid

Acetoacetic Acid

SCHEMBL28490147

C1=Cc2ccccc2N(c2ccccc2)C1.C1=Cc2ccccc2N(c2ccccc2)C1.CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Ir+3]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
P2RX4 Q99571 11/20 0.35
P2RX1 P51575 3/20 0.33
P2RX3 P56373 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
P2RX7 Q99572 2/20 0.33
PTBP1 P26599 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL28016744 0.91 MTNR1A (0.40) MTNR1AMTNR1BP2RX4P2RX1P2RX3
SCHEMBL28185358 0.90 MTNR1A (0.40) MTNR1AMTNR1BP2RX4P2RX1P2RX3
SCHEMBL29033430 0.90 MTNR1A (0.40) MTNR1AMTNR1BP2RX4P2RX1P2RX3
Acetic Acid SCHEMBL28756511 0.90 P2RX4 (0.37) MTNR1AMTNR1BP2RX4P2RX1P2RX3
Acetic Acid SCHEMBL28664459 0.85 P2RX4 (0.36) MTNR1AMTNR1BP2RX4P2RX1P2RX3
SCHEMBL30292820 0.79 SIGMAR1 (0.38) P2RX4P2RX1P2RX3SMN1; SMN2MAPT
SCHEMBL21815682 0.79 SIGMAR1 (0.38) P2RX4P2RX1P2RX3SMN1; SMN2MAPT
SCHEMBL28423984 0.78 SIGMAR1 (0.36) P2RX4P2RX1P2RX3SMN1; SMN2MAPT
SCHEMBL22028459 0.78 SIGMAR1 (0.36) P2RX4P2RX1P2RX3SMN1; SMN2MAPT
SCHEMBL29363156 0.78 SIGMAR1 (0.36) P2RX4P2RX1P2RX3SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113994497-A Organic light emitting device 株式会社LG化学 2022-01-28 CN disclosed
CN-111799309-A Pressure sensitive display device 韩国电子通信研究院 2020-10-20 CN disclosed