SCHEMBL29094831

SCHEMBL29094831

CC(C#N)COP(=O)(OCC(C)C#N)OCC(C)C#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ ACHE P22303 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
SCHEMBL30704479 0.82 MPI (0.44) ALDH1A1
SCHEMBL29094833 0.73 CYP3A4 (0.42) CYP3A4L3MBTL1TSHRACHE
SCHEMBL8698783 0.71 TSHR (0.43) TSHR
SCHEMBL133326 0.71 TSHR (0.45) CYP3A4L3MBTL1TSHRALDH1A1
SCHEMBL1926576 0.69 — —
SCHEMBL6681164 0.68 — —
SCHEMBL10936380 0.67 TSHR (0.40) TSHR
SCHEMBL25060 0.67 TSHR (0.41) CYP3A4L3MBTL1TSHRALDH1A1
SCHEMBL5166877 0.67 — —
SCHEMBL5704321 0.67 CYP3A4 (0.45) CYP3A4L3MBTL1TSHRALDH1A1

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
CN-117423902-A Electrolyte and battery 珠海冠宇电池股份有限公司 2024-01-19 — — CN claimed
CN-116960459-A Electrolyte and battery comprising same 珠海冠宇电池股份有限公司 2023-10-27 — — CN claimed
CN-117423902-A Electrolyte and battery 珠海冠宇电池股份有限公司 2024-01-19 — — CN disclosed
CN-116960459-A Electrolyte and battery comprising same 珠海冠宇电池股份有限公司 2023-10-27 — — CN disclosed
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