SCHEMBL11250973

SCHEMBL11250973

C=CC/C(=C\CCC)O/C(=C/CCC)CC=C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11250977 1.00 TSHR (0.42) TSHRALDH1A1
SCHEMBL9423650 0.87 TSHR (0.46) TSHRALDH1A1
SCHEMBL9423521 0.81
SCHEMBL848556 0.74 TSHR (0.43) TSHRALDH1A1
SCHEMBL848557 0.74 TSHR (0.43) TSHRALDH1A1
SCHEMBL848017 0.73
SCHEMBL848018 0.73
SCHEMBL9272954 0.72 TSHR (0.30) TSHR
SCHEMBL9597705 0.72 TSHR (0.30) TSHR
SCHEMBL1485906 0.70

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
US-4317925-A Process for the production of di-n-propylacetic acid RUHRCHEMIE AKTIENGESELLSCHAFT (DE) 1982-03-02 US claimed
US-4317925-A Process for the production of di-n-propylacetic acid RUHRCHEMIE AKTIENGESELLSCHAFT (DE) 1982-03-02 US disclosed
US-4317925-A Process for the production of di-n-propylacetic acid RUHRCHEMIE AKTIENGESELLSCHAFT (DE) 1982-03-02 US disclosed