SCHEMBL9016328

SCHEMBL9016328

Cc1ccccc1C(P)(c1ccccc1C)c1ccccc1-c1ccccc1C(P)(c1ccccc1C)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HSD11B1 P28845 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 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

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
Iodide SCHEMBL11522127 0.88 TSHR (0.45) ACHETSHRGABRA1GABRB2TRPA1
SCHEMBL8056036 0.78
SCHEMBL15660504 0.77 TSHR (0.39) ACHETSHRGABRA1GABRB2ALDH1A1
SCHEMBL9016372 0.77 TSHR (0.39) ACHETSHRGABRA1GABRB2ALDH1A1
SCHEMBL9016332 0.76 TSHR (0.41) ACHETSHRNPC1RAB9AHSD11B1
SCHEMBL10955842 0.76 ACHE (0.38) ACHETSHRGABRA1GABRB2SMN1; SMN2
Bromide SCHEMBL29017423 0.76 TSHR (0.38) ACHETSHRGABRA1GABRB2ALDH1A1
Water SCHEMBL29265399 0.76 TSHR (0.38) ACHETSHRGABRA1GABRB2ALDH1A1
SCHEMBL470628 0.73 GABRA1 (0.48) ACHETSHRGABRA1GABRB2TRPA1
SCHEMBL11204082 0.73 TSHR (0.45) ACHETSHRGABRA1GABRB2TRPA1

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