SCHEMBL9016372

SCHEMBL9016372

Cc1ccccc1C(P)(c1ccccc1)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ACHE P22303 3/20 0.39
KIF11 P52732 1/20 0.36
KCNN4 O15554 4/20 0.34
MAPK1 P28482 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL15660504 0.95 TSHR (0.39) TSHRACHEKIF11KCNN4MAPK1
Bromide SCHEMBL29017423 0.93 TSHR (0.38) TSHRACHEKIF11KCNN4MAPK1
Water SCHEMBL29265399 0.93 TSHR (0.38) TSHRACHEKIF11KCNN4MAPK1
Iodide SCHEMBL11522127 0.83 TSHR (0.45) TSHRACHEGABRA1GABRB2ESR1
SCHEMBL5596345 0.82 GABRA1 (0.55) TSHRACHEKIF11GABRA1GABRB2
SCHEMBL15657789 0.79 TRPA1 (0.35) TSHRACHEKIF11KCNN4GABRA1
SCHEMBL1368134 0.78 KCNN4 (0.41) TSHRKCNN4MAPK1ESR1ESR2
SCHEMBL9016328 0.77 ACHE (0.39) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL10887966 0.77 TSHR (0.35) TSHRACHEKIF11KCNN4MAPK1
SCHEMBL9632116 0.76 TSHR (0.43) TSHRACHEKIF11KCNN4MAPK1

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
EP-0683786-B1 PROCESS FOR THE PREPARATION OF LITHIUM DIARYLPHOSPHIDES AND ALKYLATED DERIVATIVES THEREOF EASTMAN CHEM CO (US) 1996-12-18 EP disclosed
EP-0683786-A1 PROCESS FOR THE PREPARATION OF LITHIUM DIARYLPHOSPHIDES AND ALKYLATED DERIVATIVES THEREOF. EASTMAN CHEM CO (US) 1995-11-29 EP disclosed
US-5354894-A Treating triarylphosphine with lithium and a primary or secondary amine EASTMAN CHEMICAL COMPANY (US) 1994-10-11 US disclosed
WO-1994018211-A1 PROCESS FOR THE PREPARATION OF LITHIUM DIARYLPHOSPHIDES AND ALKYLATED DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 1994-08-18 WO disclosed
US-5288912-A Hydrohalogenation of a triarylphosphine; alkylation; using lithium diarylphosphine as chemical intermediate EASTMAN KODAK COMPANY (US) 1994-02-22 US disclosed