SCHEMBL11223701

SCHEMBL11223701

C=C(CCCCCCCCCCCCC#N)CCCCCCCC(C)CCCC(C)C#N

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.31

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
SCHEMBL2492983 0.87 TSHR (0.41) TSHR
SCHEMBL30095939 0.79 TSHR (0.68) TSHR
SCHEMBL31543773 0.79 TSHR (0.68) TSHR
SCHEMBL7205952 0.79 TSHR (0.68) TSHR
SCHEMBL29583083 0.79 TSHR (0.68) TSHR
SCHEMBL29583138 0.79 TSHR (0.68) TSHR
SCHEMBL59615 0.78 TSHR (0.38) TSHR
SCHEMBL11146687 0.78 TSHR (0.42) TSHR
SCHEMBL59073 0.77 TSHR (0.38) TSHR
SCHEMBL59578 0.77 TSHR (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337177-A RUTHENIUM (COMPOUND), GRANULAR SUPPORT OF IRREGULAR SHAPE PHILLIPS PETROLEUM COMPANY (US) 1982-06-29 US disclosed
US-4259262-A TO SATURATED DIAMINES USING RUTHENIUM ON GRANULAR SUPPORT IN PRESENCE OF AMMONIA PHILLIPS PETROLEUM COMPANY (US) 1981-03-31 US disclosed