SCHEMBL9300129

SCHEMBL9300129

C=C(c1ccc(Br)cc1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA12 O43570 3/20 0.46
MMP2 P08253 3/20 0.46
CA14 Q9ULX7 2/20 0.46
OGG1 O15527 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GSK3B P49841 2/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL28422094 0.77 CES2 (0.46) CES2CES1MMP2CA1CA2
SCHEMBL28891033 0.77 CES2 (0.46) CES2CES1CA12MMP2CA1
SCHEMBL28414250 0.77 LMNA (0.48) CES2CES1CA12CA1GSK3B
SCHEMBL95085 0.76 L3MBTL1 (0.48) CES2CES1CA12CA14CA1
SCHEMBL9301191 0.75 MEN1 (0.43) CES2CES1CA12MMP2CA14
SCHEMBL28243879 0.75 PARP1 (0.50) MMP2CA14CA1ALDH1A1LMNA
SCHEMBL11052358 0.74 CES2 (0.54) CES2CES1CA12MMP2CA14
SCHEMBL9301199 0.74 KMT2A (0.41) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL28409854 0.72 MAPT (0.53) CES2CES1CA1CA2GSK3B
SCHEMBL6343638 0.69 MAPT (0.55) CES2CES1OGG1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903318-B Preparation method of alkenyl phosphonate compound 西北民族大学 2023-02-28 CN disclosed
CN-110903318-A Preparation method of alkenyl phosphonate compound 西北民族大学 2020-03-24 CN disclosed
US-5328958-A Thermoplastic resins based on vinyl aromatic/vinyl phosphonic acid copolymers and amine-terminated polymers ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-07-12 US disclosed
US-5310808-A Flame-retardant thermoplastic copolymers based on vinyl phosphonate derivatives grafted onto rubber ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-05-10 US disclosed
US-5292817-A Flame-retardant thermoplastic copolymers based on vinyl phosphonate derivatives grafted onto rubber ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1994-03-08 US disclosed
EP-0130439-B1 PROCESS FOR THE PREPARATION OF VINYLPHOSPHONIC ACID OR VINYLPYROPHONIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed
EP-0068350-B1 PROCESS FOR PREPARING DERIVATIVES OF VINYL PHOSPHONIC OR VINYL PYROPHOSPHONIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-07 EP disclosed
US-4529559-A Process for making derivatives of vinylphosphonic acid or vinylpyrophosphonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
EP-0130439-A1 Process for the preparation of vinylphosphonic acid or vinylpyrophonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-09 EP disclosed
US-4486357-A Process for making vinylphosphonic acid or vinylpyrophosphonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
EP-0068350-A1 Process for preparing derivatives of vinyl phosphonic or vinyl pyrophosphonic acids HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed