SCHEMBL8525192

SCHEMBL8525192

CC(C(=O)O)C1(C(=O)CBr)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL9723832 0.75 FFAR3 (0.38) TSHRALDH1A1
SCHEMBL517562 0.64
SCHEMBL1844272 0.63 MME (0.33)
SCHEMBL23852249 0.62
SCHEMBL1143457 0.62
SCHEMBL27805602 0.62 CYP1A2 (0.35)
Hydrochloric Acid SCHEMBL28017105 0.61 CYP1A2 (0.34)
SCHEMBL21326835 0.61
SCHEMBL22034607 0.61
SCHEMBL11619428 0.61 TP53 (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11240868-A None JP disclosed
JP-11240867-A None JP disclosed
JP-H11240868-A 7-AMIO-5-SUBSTITUTED-5-AZASPIRO(2,4)HEPTANE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1999-09-07 JP disclosed
JP-H11240867-A 5-SUBSTITUTED-4,7-DIOXO-5-AZASPIRO(2,4)HEPTANE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1999-09-07 JP disclosed