SCHEMBL29248196

SCHEMBL29248196

CC(C)(C)OP(=O)(OCBr)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL3429790 0.81 CYP3A4 (0.34) TSHR
SCHEMBL3816214 0.77 TSHR (0.60) TSHR
SCHEMBL1486113 0.75 TSHR (0.32) TSHR
SCHEMBL17999714 0.75 CYP2C19 (0.33) TSHR
SCHEMBL194036 0.75 ALDH1A1 (0.35) TSHR
SCHEMBL6808152 0.75 TSHR (0.32) TSHR
SCHEMBL6449351 0.74 TSHR (0.44) TSHR
SCHEMBL486485 0.74 TSHR (0.31) TSHR
SCHEMBL16072566 0.73 TSHR (0.31) TSHR
SCHEMBL3815405 0.73 CYP3A4 (0.46) TSHR

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-118027098-A Prodrugs of ospirimol and derivatives thereof, and preparation method and application thereof 珠海安哲医药科技有限公司 2024-05-14 CN claimed
CN-118027098-A Prodrugs of ospirimol and derivatives thereof, and preparation method and application thereof 珠海安哲医药科技有限公司 2024-05-14 CN disclosed
CN-116874531-A New preparation method of antiemetic medicine 北京康立生医药技术开发有限公司 2023-10-13 CN disclosed