SCHEMBL8927912

SCHEMBL8927912

C=CCOC(=O)C(F)(F)C(F)(F)C1OCCO1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8207148 0.78 CYP3A4 (0.41) CYP3A4ALDH1A1
SCHEMBL8927910 0.78
SCHEMBL8927924 0.77 CYP3A4 (0.31) CYP3A4ALDH1A1
SCHEMBL3254590 0.75
SCHEMBL11573555 0.75 CYP3A4 (0.38) CYP3A4ALDH1A1
SCHEMBL8927652 0.74
SCHEMBL11444238 0.73 CYP3A4 (0.39) CYP3A4ALDH1A1
SCHEMBL2029186 0.72 CYP3A4 (0.36) CYP3A4ALDH1A1
SCHEMBL5704631 0.72 CYP3A4 (0.36) CYP3A4ALDH1A1
SCHEMBL28644467 0.72 TSHR (0.38) CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644043-A ANTITUMOR, ANTICANCER, TREATMENT OF HERPES ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5574021-A LEUKEMIA ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
EP-0329348-B1 2',3'-Dideoxy-2',2'-difluoronucleosides LILLY CO ELI (US) 1995-07-12 EP disclosed
EP-0329348-A2 2',3'-Dideoxy-2',2'-difluoronucleosides ELI LILLY AND COMPANY (US) 1989-08-23 EP disclosed