SCHEMBL7733446

SCHEMBL7733446

CCCCCC1CCCCCCCC1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.85
SIGMAR1 Q99720 3/20 0.56
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NAAA Q02083 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
LSS P48449 1/20 0.40

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
SCHEMBL136689 1.00 CYP1A2 (0.85) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL29076360 1.00 CYP1A2 (0.85) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL133028 1.00 CYP1A2 (0.85) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL7733130 1.00 CYP1A2 (0.85) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL133404 1.00 CYP1A2 (0.85) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL25394046 1.00 CYP1A2 (0.85) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL25391848 0.97 CYP1A2 (0.81) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL25392743 0.97 CYP1A2 (0.81) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL25391637 0.97 CYP1A2 (0.81) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA
SCHEMBL25393174 0.97 CYP1A2 (0.81) CYP1A2SIGMAR1EPHX1ALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606568-A Quantum dot ink composition and quantum dot electroluminescent device 三星电子株式会社 2023-08-18 CN disclosed
EP-4114825-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-01-11 EP disclosed
WO-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed