SCHEMBL21754526

SCHEMBL21754526

CN(CCN(CP(=O)(O)O)CP(=O)(O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FDPS P14324 3/20 0.36
PPARG P37231 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL8801336 0.83 MEN1 (0.50) MEN1KMT2AHTTCA12CA2
Hydrochloric Acid SCHEMBL8800744 0.82 MEN1 (0.48) MEN1KMT2AHTTCA12CA2
SCHEMBL9313854 0.80 MEN1 (0.47) MEN1KMT2AHTTCA12CA2
Hydrochloric Acid SCHEMBL9314522 0.79 MEN1 (0.45) MEN1KMT2AHTTCA12CA2
SCHEMBL11044440 0.77 CA12 (0.50) MEN1KMT2AHTTCA12CA2
SCHEMBL9313860 0.74 HTT (0.44) MEN1KMT2AHTTCA12CA2
SCHEMBL10893135 0.74 KCNH2 (0.48) HTTCA12CA2CA9TSHR
SCHEMBL21533786 0.72 HTT (0.42) MEN1KMT2AHTTCA12CA2
Hydrochloric Acid SCHEMBL9314527 0.72 HTT (0.42) MEN1KMT2AHTTCA12CA2
SCHEMBL22492 0.72 KDM4E (0.39) MEN1KMT2ATSHRFDPSCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037287-B2 High-adaptability viscosity-reducing polycarboxylic acid water reducer, preparation method therefor and use thereof SOBUTE NEW MATERIALS CO., LTD (CN) 2024-07-16 US disclosed
US-12037287-B2 High-adaptability viscosity-reducing polycarboxylic acid water reducer, preparation method therefor and use thereof SOBUTE NEW MATERIALS CO., LTD (CN) 2024-07-16 US disclosed
EP-3398982-B1 PREPARATION METHOD FOR POLYMER AND APPLICATIONS THEREOF SOBUTE NEW MAT CO LTD (CN) 2023-08-23 EP disclosed
US-20210163355-A1 HIGH-ADAPTABILITY VISCOSITY-REDUCING POLYCARBOXYLIC ACID WATER REDUCER, PREPARATION METHOD THEREFOR AND USE THEREOF SOBUTE NEW MATERIALS CO.,LTD. (CN) 2021-06-03 US disclosed
US-10570253-B2 Preparation method for polymer and applications thereof SOBUTE NEW MATERIALS CO., LTD. (CN) 2020-02-25 US disclosed