SCHEMBL9764128

SCHEMBL9764128

CCC(C)CC(CC)[C](C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL10496846 0.80 ANPEP (0.36) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL28398347 0.79 TSHR (0.41) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL28149631 0.78 SLC1A3 (0.39) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL4652950 0.77
SCHEMBL2800948 0.76 TSHR (0.32) TSHR
SCHEMBL1402358 0.75
SCHEMBL1996515 0.74 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL9738502 0.74 TSHR (0.35) TSHR
SCHEMBL8314295 0.74 SLC1A3 (0.58) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL20490062 0.74 SLC1A3 (0.37) TSHRSLC1A3SLC1A2SLC1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066696-A Tertiary-Alkyl-Substituted Melamines ROHM AND HAAS COMPANY (US) 1991-11-19 US disclosed
EP-0442680-A1 Polymers stabilized against light and heat degradation ROHM AND HAAS COMPANY (US) 1991-08-21 EP disclosed