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SCHEMBL20107344

SCHEMBL20107344

CCOC(=O)CCSP(OC(C)C)OC(C)CSP(OC(C)CSP(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(OC(C)CC(C)C)OC(C)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL23809613 0.96 KDM4E (0.33) KDM4EALDH1A1TDP1CYP1A2TSHR
SCHEMBL20107354 0.95 CYP1A2 (0.33) KDM4EALDH1A1TDP1CYP1A2TSHR
SCHEMBL20107510 0.91 — —
SCHEMBL20107530 0.89 — —
SCHEMBL22240379 0.88 TSHR (0.30) TSHR
SCHEMBL20107505 0.85 — —
SCHEMBL23809607 0.84 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20107499 0.83 — —
SCHEMBL23809588 0.81 TSHR (0.35) TSHR
SCHEMBL23809604 0.80 ALDH1A1 (0.32) KDM4EALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133077-B1 PHOSPHOROUS CONTAINING COMPOUNDS AND USES THEREOF AFTON CHEMICAL CORP (US) 2020-07-22 — — EP disclosed
WO-2018081822-A1 PHOSPHOROUS CONTAINING COMPOUNDS AND USES THEREOF AFTON CHEMICAL CORPORATION (US) 2018-05-03 — — WO disclosed