SCHEMBL11049873

SCHEMBL11049873

CC(C)CCc1cccc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.32

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
SCHEMBL1554116 0.86 GABRA1 (0.39) PNMT
SCHEMBL2401855 0.84 PNMT (0.34) PNMT
SCHEMBL2419729 0.82 LIPG (0.33) PNMT
SCHEMBL2312884 0.81 PNMT (0.34) PNMT
SCHEMBL5319446 0.81 PNMT (0.34) PNMT
SCHEMBL166481 0.81 PNMT (0.36) PNMT
SCHEMBL1042034 0.81 PNMT (0.36) PNMT
SCHEMBL156108 0.80 LIPG (0.41)
SCHEMBL4912937 0.80 LIPG (0.41)
SCHEMBL8500895 0.79 PNMT (0.33) PNMT

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-0036075-B1 MIXTURES BASED ON AROMATIC-ALIPHATIC KETONES, THEIR USE AS PHOTOINITIATORS AND PHOTOPOLYMERISABLE SYSTEMS CONTAINING SUCH MIXTURES MERCK PATENT GmbH (DE) 1984-06-06 EP disclosed
US-4434035-A Mixtures of aromatic-aliphatic ketones as photoinitiators and photopolymerizable systems containing them Merck Patent Gesellschaft mit beschr/a/ nkter Haftung (DE) 1984-02-28 US disclosed
US-4390453-A DISCOLORATION INHIBITION; ULTRAVIOLET HARDENING OF ACRYLIC INKS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-06-28 US disclosed
EP-0036075-A1 Mixtures based on aromatic-aliphatic ketones, their use as photoinitiators and photopolymerisable systems containing such mixtures MERCK PATENT GmbH (DE) 1981-09-23 EP disclosed