SCHEMBL3010717

SCHEMBL3010717

O=P(CO)(CO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
TSHR P16473 3/20 0.54
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
CFTR P13569 1/20 0.52
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.44
ALPG P10696 1/20 0.44
ALOX12 P18054 1/20 0.44
NPY1R P25929 1/20 0.44
HTT P42858 1/20 0.44
NPY2R P49146 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL3007003 0.80 GAA (0.68) GAATSHRCA2CA4CA5A
SCHEMBL3410872 0.79 GAA (0.67) GAATSHRCA2CA4CA5A
SCHEMBL28106722 0.77 CFTR (0.70) GAATSHRCA2CA4CA5A
SCHEMBL6549541 0.77 CFTR (0.70) GAATSHRCA2CA4CA5A
SCHEMBL16213890 0.77 TSHR (0.57) GAATSHRCA2CA4CA5A
SCHEMBL16213895 0.77 TSHR (0.57) GAATSHRCA2CA4CA5A
SCHEMBL16213896 0.77 TSHR (0.57) GAATSHRCA2CA4CA5A
SCHEMBL3007452 0.77 GAA (0.57) GAATSHRCA2CA4CA5A
SCHEMBL9000877 0.75 USP2 (0.68) GAACA2CA4CA5ACFTR
SCHEMBL21642988 0.75 CFTR (0.67) GAATSHRCA2CA4CA5A

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
CN-116284120-A High-hardness polyurethane and preparation method and application thereof 万华化学集团股份有限公司 2023-06-23 CN disclosed
CN-112898341-A Process for preparing phosphine alkane and phosphono compound 深圳有为技术控股集团有限公司 2021-06-04 CN disclosed
US-8344096-B2 Phosphorus-containing polycarbonate polyol, method for production thereof, and phosphorus-containing polycarbonate polyurethane UBE INDUSTRIES, LTD. (JP) 2013-01-01 US disclosed
US-20100197887-A1 PHOSPHORUS-CONTAINING POLYCARBONATE POLYOL, METHOD FOR PRODUCTION THEREOF, AND PHOSPHORUS-CONTAINING POLYCARBONATE POLYURETHANE UBE INDUSTRIES, LTD. (JP) 2010-08-05 US disclosed
US-4076755-A FROM PHOSPHINES AND ALDEHYDES OR KETONES HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed