SCHEMBL31404542

SCHEMBL31404542

CCCCCCCCCCCCCCOC[C@H](COP(=O)(OC[C@@]1(C#N)OC(c2ccc3c(N)ncnn23)[C@@H]2OC(C)(C)O[C@@H]21)Oc1ccccc1Cl)Oc1cc(C#N)ccn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL25763603 1.00 — —
SCHEMBL25779649 0.94 — —
SCHEMBL25763556 0.93 — —
SCHEMBL31404570 0.93 — —
SCHEMBL25763040 0.93 — —
SCHEMBL25763156 0.91 — —
SCHEMBL30476166 0.91 — —
SCHEMBL25763612 0.90 POLRMT (0.34) —
SCHEMBL31404555 0.89 — —
SCHEMBL30476210 0.89 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034182-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2025-01-30 — — US disclosed
Send feedback