SCHEMBL13172467

SCHEMBL13172467

O=[N+]([O-])c1ccccc1CN(CCCCCCN(Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.62
ACHE P22303 2/20 0.62
ALDH1A1 P00352 5/20 0.54
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SNCA P37840 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4369195 0.84 BCHE (0.67) BCHEACHEALDH1A1TSHR
SCHEMBL15426533 0.81 ALDH1A1 (0.63) BCHEACHEALDH1A1CA12SIGMAR1
SCHEMBL2371999 0.81 BCHE (0.60) BCHEACHEALDH1A1TSHRHPGD
Water SCHEMBL25285462 0.80 ALDH1A1 (0.51) BCHEACHEALDH1A1TSHRHPGD
Hydrochloric Acid SCHEMBL29750350 0.80 ALDH1A1 (0.51) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL2621456 0.79 ALDH1A1 (0.50) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL10401164 0.79 ALDH1A1 (0.64) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL9667284 0.78 ALDH1A1 (0.52) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL250143 0.77 ALDH1A1 (0.62) BCHEACHEALDH1A1TSHRHPGD
SCHEMBL30524090 0.77 ALDH1A1 (0.62) BCHEACHEALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100239962-A1 TWO-PHOTON ABSORBING OPTICAL RECORDING MATERIAL AND TWO-PHOTON ABSORBING OPTICAL RECORDING AND REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-7771915-B2 Two-photon absorbing optical recording material and two-photon absorbing optical recording and reproducing method FUJIFILM CORPORATION (JP) 2010-08-10 US disclosed
US-20090303855-A1 TWO-PHOTON-ABSORBING RECORDING MEDIUM, TWO-PHOTON-ABSORBING RECORDING/REPRODUCING METHOD, AND TWO-PHOTON-ABSORBING RECORDING/REPRODUCING APPARATUS FUJIFILM CORPORATION (JP) 2009-12-10 US disclosed
US-7588863-B2 Hologram recording method and hologram recording material FUJIFILM CORPORATION (JP) 2009-09-15 US disclosed
US-7582390-B2 Two-photon absorbing polymerization method, two-photon absorbing optical recording material and two-photon absorbing optical recording method FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7582391-B2 Two-photon absorption decolorizable material, two-photon absorption refractive index modulation material, two-photon absorption polymerization material, two-photon absorption polymerization method and three-dimensional optical recording material FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7531667-B2 Two-photon absorption dye-containing material, three-dimensional refractive index modulation material, three-dimensional absorption index modulation material and three-dimensional optical recording material FUJIFILM CORPORATION (JP) 2009-05-12 US disclosed