SCHEMBL2406869

SCHEMBL2406869

CCCP(=O)(O)CC=C(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 8/20 0.36
BTN3A1 O00481 1/20 0.35
GABBR2 O75899 1/20 0.34
GABRR1 P24046 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL2406850 0.87 GABBR2 (0.50) GABBR2GABRR1GABBR1
SCHEMBL2406283 0.81 GGPS1 (0.38) GGPS1BTN3A1GABBR2GABBR1
SCHEMBL497156 0.74
SCHEMBL2407338 0.73 GABBR2 (0.34) GABBR2GABRR1GABBR1
SCHEMBL2407337 0.73 GABBR2 (0.34) GABBR2GABRR1GABBR1
SCHEMBL434442 0.72
SCHEMBL18378696 0.72 GABBR2 (0.50) GABBR2GABRR1GABBR1
SCHEMBL2487035 0.72 GABBR2 (0.50) GABBR2GABRR1GABBR1
Bromide SCHEMBL28912325 0.72 GABBR2 (0.50) GABBR2GABRR1GABBR1
SCHEMBL29008414 0.72 GABBR2 (0.50) GABBR2GABRR1GABBR1

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-8772519-B2 Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2014-07-08 US disclosed
EP-2367835-B1 PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP disclosed
EP-2367835-A1 PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF Clariant International Ltd. (CH) 2011-09-28 EP disclosed
US-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-01 US disclosed
WO-2010054722-A1 PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-20 WO 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 (1 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-20110213080-A1 Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof AGL, ACSL3, ACSL6 GGPS1 619/4885BTN3A1 2787/4885GABBR2 2566/4885

“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.