Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7056615

C=CCOP(=O)(O)OF.N

nearest known ligand 0.34

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
PGGT1B P53609 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
SCHEMBL87740 0.98
Ammonia Solution, Strong SCHEMBL8023938 0.86 BTN3A1 (0.39) BTN3A1LPAR2LPAR3FNTAFNTB
SCHEMBL174096 0.84 BTN3A1 (0.40) BTN3A1LPAR2LPAR3FNTAFNTB
Ethylene SCHEMBL28068723 0.81 BTN3A1 (0.39) BTN3A1LPAR2LPAR3FNTAFNTB
SCHEMBL10625461 0.81 BTN3A1 (0.39) BTN3A1LPAR2LPAR3FNTAFNTB
SCHEMBL11677557 0.81 BTN3A1 (0.39) BTN3A1LPAR2LPAR3FNTAFNTB
Allyl Pyrophosphate SCHEMBL9482750 0.78 BTN3A1 (0.57) BTN3A1FNTAFNTBPGGT1B
Benzene SCHEMBL11408934 0.77 TSHR (0.43) BTN3A1LPAR2LPAR3FNTAFNTB
SCHEMBL30568 0.77
Ammonia Solution, Strong SCHEMBL790445 0.77 PPARD (0.38) BTN3A1LPAR2LPAR3FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131607-B2 Process for preparing unsymmetric OCO pincer ligands from the group of the M-terphenyl compounds EVONIK DEGUSSA GMBH (DE) 2018-11-20 US claimed
US-10131623-B2 Process for preparing symmetric pincer ligands from the group of the M-terphenyl compounds EVONIK DEGUSSA GMBH (DE) 2018-11-20 US claimed
EP-3133054-B1 METHOD FOR THE PREPARATION OF SYMMETRICAL PINCER LIGANDS FROM THE GROUP OF M TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2018-03-07 EP claimed
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US claimed
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US claimed
US-10131607-B2 Process for preparing unsymmetric OCO pincer ligands from the group of the M-terphenyl compounds EVONIK DEGUSSA GMBH (DE) 2018-11-20 US disclosed
US-10131623-B2 Process for preparing symmetric pincer ligands from the group of the M-terphenyl compounds EVONIK DEGUSSA GMBH (DE) 2018-11-20 US disclosed
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2017-02-23 US disclosed
US-20040096747-A1 Electrolyte solution for electrochemical cells EPCOS AG (DE) 2004-05-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10131607-B2 Process for preparing unsymmetric OCO pincer ligands from the group of the M-terphenyl compounds COMT, MSMO1, TYR BTN3A1 1351/4885LPAR2 1176/4885LPAR3 1411/4885
US-20170050910-A1 PROCESS FOR PREPARING UNSYMMETRIC OCO PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS COMT, MSMO1, TYR BTN3A1 1351/4885LPAR2 1176/4885LPAR3 1411/4885
US-10131623-B2 Process for preparing symmetric pincer ligands from the group of the M-terphenyl compounds C1R, C3AR1, M6PR BTN3A1 1021/4885LPAR2 681/4885LPAR3 328/4885
US-20170050918-A1 PROCESS FOR PREPARING SYMMETRIC PINCER LIGANDS FROM THE GROUP OF THE M-TERPHENYL COMPOUNDS C1R, M6PR, C3AR1 BTN3A1 935/4885LPAR2 707/4885LPAR3 335/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.