SCHEMBL6413643

SCHEMBL6413643

[CH2]Cc1ccccc1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.39
IDO1 P14902 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL20739969 0.84 TAAR1 (0.40) RIPK1TAAR1KCNH2SLC6A3CHRM2
SCHEMBL18539402 0.83 RIPK1 (0.41) RIPK1IDO1TAAR1KCNH2SLC6A4
SCHEMBL677806 0.82 KCNH2 (0.35) RIPK1KCNH2
SCHEMBL12056288 0.81 L3MBTL1 (0.50) RIPK1SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL3361480 0.81 RIPK1 (0.40) RIPK1IDO1TAAR1KCNH2SLC6A4
SCHEMBL2912005 0.79 PNMT (0.45) RIPK1IDO1TAAR1KCNH2SLC6A4
SCHEMBL8053486 0.79 RIPK1 (0.39) RIPK1IDO1TAAR1KCNH2SLC6A4
SCHEMBL8053490 0.79 RIPK1 (0.39) RIPK1IDO1TAAR1KCNH2SLC6A4
SCHEMBL1047281 0.79 GRIN2B (0.43) KCNH2SLC6A4SLC6A2SLC6A3DRD2
SCHEMBL14667220 0.79 RIPK1 (0.61) RIPK1IDO1TAAR1KCNH2SLC6A4

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
CN-111465662-B Aqueous dispersion of coloured particles 三菱铅笔株式会社 2023-05-26 CN disclosed
WO-2021241484-A1 WRITING IMPLEMENT 三菱鉛筆株式会社 2021-12-02 WO disclosed
CN-111465662-A Aqueous dispersions of pigmented particles 三菱铅笔株式会社 2020-07-28 CN disclosed
EP-3444304-A1 POLYFUNCTIONAL POLYMERIZABLE COMPOUND AND COLORED COMPOSITION FUJIFILM Wako Pure Chemical Corporation (JP) 2019-02-20 EP disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed