SCHEMBL30931882

SCHEMBL30931882

CCCCCCCCCCCCCCCCSSCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 16/20 0.90
▸ CYP2D6 P10635 16/20 0.87

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
SCHEMBL20644323 0.98 CYP3A4 (0.90) CYP3A4CYP2D6
SCHEMBL30931872 0.98 CYP3A4 (0.90) CYP3A4CYP2D6
SCHEMBL20644363 0.97 CYP3A4 (0.84) CYP3A4CYP2D6
SCHEMBL24721952 0.95 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24721951 0.95 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24722092 0.95 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24722091 0.95 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24722041 0.95 CYP3A4 (1.00) CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL29827783 0.94 CYP3A4 (1.00) CYP3A4CYP2D6
SCHEMBL24721853 0.93 CYP3A4 (0.97) CYP3A4CYP2D6

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-118388536-A Novel nucleoside reverse transcriptase inhibitors for antiviral use 深圳市塔吉瑞生物医药有限公司 2024-07-26 — — CN disclosed
CN-109320553-B Nucleoside reverse transcriptase inhibitors for antiviral use 深圳市塔吉瑞生物医药有限公司 2024-05-14 — — CN disclosed
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