SCHEMBL9638829

SCHEMBL9638829

OCC=C1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46

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
SCHEMBL339727 0.76 TSHR (0.39) TSHR
SCHEMBL9638454 0.75 TSHR (0.41) TSHR
SCHEMBL5376527 0.75 TSHR (0.41) TSHR
SCHEMBL6557963 0.67 TSHR (0.48) TSHR
SCHEMBL7627471 0.65 TSHR (0.46) TSHR
SCHEMBL9126560 0.64 SLC6A3 (0.31)
SCHEMBL6596963 0.63 TSHR (1.00) TSHR
SCHEMBL4791985 0.62 TSHR (0.43) TSHR
Adamantane SCHEMBL6037700 0.61 TSHR (0.46) TSHR
SCHEMBL1072862 0.60 TSHR (0.41) 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
EP-0246114-B1 PHOTOCHROMIC SPIROPYRAN COMPOUNDS GEC-MARCONI LIMITED (GB) 1992-09-02 EP disclosed
US-4826977-A Photochromic spiropyran compounds THE PLESSEY COMPANY PLC (GB) 1989-05-02 US disclosed
EP-0246114-A2 Photochromic spiropyran compounds GEC-MARCONI LIMITED (GB) 1987-11-19 EP disclosed