SCHEMBL9719770

SCHEMBL9719770

ClCCCCCCC#C[Mg]Br

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL20767766 0.90
SCHEMBL10701209 0.78 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL10700044 0.78 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL9719752 0.78 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL10698363 0.76
SCHEMBL11673737 0.76 TSHR (0.42) ALDH1A1TSHR
SCHEMBL20597208 0.76 TSHR (0.42) ALDH1A1TSHR
SCHEMBL10700962 0.75
SCHEMBL20767778 0.72
SCHEMBL9079834 0.72

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
EP-0337862-B1 1-HALO-(Z,E) 7,10-DODECADIENE AND A METHOD FOR THE PRODUCTION THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 1992-07-08 EP disclosed
US-4918252-A CHEMICAL INTERMEDIATE FOR SEX PHEROMONE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-04-17 US disclosed
EP-0337862-A1 1-halo-(Z,E) 7,10-dodecadiene and a method for the production thereof Shin-Etsu Chemical Co., Ltd. (JP) 1989-10-18 EP disclosed
EP-0282940-A2 A method for the preparation of a gamma-substituted (E)-2-alken-1-AL Shin-Etsu Chemical Co., Ltd. (JP) 1988-09-21 EP disclosed