SCHEMBL9700655

SCHEMBL9700655

CCC(C)(CC(C)(C)CN=C=O)N=C=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL426814 0.85
SCHEMBL8096516 0.84
SCHEMBL27777993 0.79
SCHEMBL12103855 0.79
SCHEMBL14703092 0.77 TSHR (0.32)
SCHEMBL17594790 0.77
SCHEMBL9913337 0.76
SCHEMBL17117091 0.75
SCHEMBL3904826 0.73 TSHR (0.32)
SCHEMBL3337943 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3382092-B1 INK JET INK COMPOSITION FOR TEXTILE PRINTING AND INK JET TEXTILE PRINTING METHOD SEIKO EPSON CORP (JP) 2023-12-13 EP disclosed
US-11491813-B2 Method for producing printed product and printing system MIMAKI ENGINEERING CO., LTD. (JP) 2022-11-08 US disclosed
US-20200398600-A1 METHOD FOR PRODUCING PRINTED PRODUCT AND PRINTING SYSTEM MIMAKI ENGINEERING CO., LTD. (JP) 2020-12-24 US disclosed
US-10704194-B2 Ink jet ink composition for textile printing and ink jet textile printing method SEIKO EPSON CORPORATION (JP) 2020-07-07 US disclosed
CN-108690400-A Ink jet ink composition for textile printing and ink jet textile printing method 精工爱普生株式会社 2018-10-23 CN disclosed
US-20180282945-A1 INK JET INK COMPOSITION FOR TEXTILE PRINTING AND INK JET TEXTILE PRINTING METHOD SEIKO EPSON CORPORATION (JP) 2018-10-04 US disclosed
EP-3382092-A1 INK JET INK COMPOSITION FOR TEXTILE PRINTING AND INK JET TEXTILE PRINTING METHOD Seiko Epson Corporation (JP) 2018-10-03 EP disclosed
US-5106943-A Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed