SCHEMBL28868100

SCHEMBL28868100

CC(F)=CCC(=O)Oc1ccccc1C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=C(c6ccccc6OC(=O)CC=C(C)F)C1=N2)C(c1ccccc1OC(=O)CC=C(C)F)=C5c1ccccc1OC(=O)CC=C(C)F)C=C4)C=C3

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
SCHEMBL29069295 0.99 — —
SCHEMBL29171209 0.85 — —
SCHEMBL28868123 0.84 — —
SCHEMBL29069277 0.84 — —
SCHEMBL29069265 0.84 — —
SCHEMBL29069319 0.84 — —
SCHEMBL28868113 0.83 — —
SCHEMBL29069303 0.83 — —
SCHEMBL29069312 0.83 — —
SCHEMBL29069247 0.83 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715800-A Blue light resistant contact lens and preparation method thereof 江苏海伦隐形眼镜有限公司 2023-09-08 — — CN disclosed
CN-115215874-B Tetra-aryl porphyrin compound containing enoate and application thereof 江苏海伦隐形眼镜有限公司 2023-05-16 — — CN disclosed
CN-115215874-A Tetra-aryl porphyrin compound containing olefine acid ester and application thereof 江苏海伦隐形眼镜有限公司 2022-10-21 — — CN disclosed
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