SCHEMBL31034937

SCHEMBL31034937

CCCCCCOC(=O)[C@@H](C)NP(=O)(OC[C@@]1(CF)O[C@@H](c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.39
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ RIPK1 Q13546 2/20 0.32
▸ BTN3A1 O00481 4/20 0.31

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
SCHEMBL27435992 1.00 POLRMT (0.39) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL27437266 0.99 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL30298753 0.97 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL27436035 0.95 POLRMT (0.41) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL30298744 0.94 POLRMT (0.39) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL27436579 0.92 POLRMT (0.42) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL30298709 0.91 POLRMT (0.39) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL27436059 0.91 CYP3A4 (0.35) POLRMTCYP3A4CYP2C9BTN3A1
SCHEMBL27435981 0.91 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LRIPK1
SCHEMBL26276451 0.91 POLRMT (0.40) POLRMTCYP3A4CYP2C9DOT1LRIPK1

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
CN-118598916-A Antiviral compounds 吉利德科学公司 2024-09-06 — — CN disclosed
CN-115135383-B Antiviral compounds 吉利德科学公司 2024-06-11 — — CN disclosed
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