SCHEMBL7205757

SCHEMBL7205757

CC(C)CC(C)CC(C)C[O]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL8310414 1.00 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL2328816 0.94
SCHEMBL23846021 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL17274592 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL31380967 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL19819960 0.83 TSHR (0.44) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL599901 0.79 TSHR (0.47) ALDH1A1TSHRMAPK1RNPEPSLC7A5
SCHEMBL8374257 0.77
SCHEMBL8375357 0.77
SCHEMBL21830468 0.75 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1RNPEPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903350-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 2003-03-12 EP disclosed
EP-0518238-B1 Pyrrolotriazole derivative FUJI PHOTO FILM CO LTD (JP) 1999-04-07 EP disclosed
EP-0903350-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1999-03-24 EP disclosed
US-5508421-A Pyrrolotriazole azomethine dye, and heat transfer dye providing material containing a pyrrolotriazole azomethine dye FUJI PHOTO FILM CO., LTD. (JP) 1996-04-16 US disclosed
US-5362882-A Intermediates for dyes for polyesters, images for heat sensitive elements and electrography FUJI PHOTO FILM CO., LTD. (JP) 1994-11-08 US disclosed
EP-0518238-A1 Pyrrolotriazole derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-12-16 EP disclosed