SCHEMBL7537376

SCHEMBL7537376

CC(C)OP([NH])(=O)OC(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.67
ACHE P22303 1/20 0.67
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 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
Isoflurophate SCHEMBL63841 0.80 CTSA (1.00) CTSAACHEALDH1A1L3MBTL1KDM4E
SCHEMBL3133686 0.73
Isoflurophate SCHEMBL8995748 0.73 CTSA (0.83) CTSAACHEALDH1A1L3MBTL1KDM4E
SCHEMBL510277 0.73
SCHEMBL80155 0.72 CTSA (0.56) CTSAACHEALDH1A1L3MBTL1KDM4E
Isopropyl Methylphosphonofluoridate SCHEMBL50256 0.71
Isopropyl Methylphosphonofluoridate SCHEMBL13442719 0.71
Isopropyl Methylphosphonofluoridate SCHEMBL3917642 0.71 CTSA (0.63) CTSAACHEALDH1A1L3MBTL1KDM4E
SCHEMBL25174107 0.69 CTSA (0.53) CTSAACHEALDH1A1L3MBTL1KDM4E
Methylphosphonic Acid Diisopropyl Ester SCHEMBL472052 0.69 CTSA (0.53) CTSAACHEALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202998-A1 SYNTHESIS OF STABLE QUINONE AND PHOTOREACTIVE KETONE PHOSPHORAMIDITE REAGENTS FOR SOLID PHASE SYNTHESIS OF PHOTOREACTIVE-OLIGOMER CONJUGATES Exiqon A/S (DK) 2002-05-08 EP disclosed
WO-2001004129-A1 SYNTHESIS OF STABLE QUINONE AND PHOTOREACTIVE KETONE PHOSPHORAMIDITE REAGENTS FOR SOLID PHASE SYNTHESIS OF PHOTOREACTIVE-OLIGOMER CONJUGATES EXIQON A/S (DK) 2001-01-18 WO disclosed
US-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5744465-A Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1998-04-28 US disclosed
EP-0504612-B1 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID CO (US) 1998-01-21 EP disclosed
US-5700930-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 US disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
US-5371215-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
US-5189158-A 4-SUBSTITUTED AZETIDINONES AS PRECURSORS TO 2-SUBSTITUTED-3-CARBOXY CARBAPENEM ANTIBIOTICS AND A METHOD OF PRODUCING THEM AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0504612-A2 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-09-23 EP disclosed