SCHEMBL8829980

SCHEMBL8829980

COCOCc1c[c]ccc1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL160785 0.84
SCHEMBL973837 0.81 TSHR (0.38) TSHR
SCHEMBL7003465 0.79 TSHR (0.62) TSHR
SCHEMBL27470512 0.78 TSHR (0.35) TSHR
SCHEMBL27475759 0.76 CA1 (0.35) TSHR
SCHEMBL6776319 0.76 TSHR (0.36) TSHR
SCHEMBL3127292 0.76 TSHR (0.64) TSHR
SCHEMBL7299928 0.74 LYPLA1 (0.40) TSHR
SCHEMBL10616231 0.74 ALDH1A1 (0.33) TSHR
SCHEMBL1167599 0.73 ENPP2 (0.35) 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
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US claimed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP claimed
US-5616711-A REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS FUJIREBIO INC. (JP) 1997-04-01 US disclosed
EP-0582304-A2 Methods of producing amino butene derivatives FUJIREBIO Inc. (JP) 1994-02-09 EP disclosed