SCHEMBL1278085

SCHEMBL1278085

C#CCNOC(=O)CC(C)(C)C

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
SCHEMBL28792640 0.72 MIF (0.32)
SCHEMBL28944219 0.72
SCHEMBL1629951 0.72 MIF (0.33)
SCHEMBL28338634 0.71 ALDH1A1 (0.32)
SCHEMBL3262881 0.70
SCHEMBL7438402 0.70 LMNA (0.35)
SCHEMBL27947516 0.69 ACHE (0.31)
SCHEMBL2757914 0.68 HPGD (0.42)
SCHEMBL27749642 0.68 LMNA (0.34)
SCHEMBL167149 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102893207-B Polyamic acid ester liquid crystal alignment agent, and liquid crystal alignment film using same NISSAN CHEMICAL IND LTD 2015-05-20 CN disclosed
CN-103003741-B Liquid crystal aligning agent containing compound having thermally releasable group and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2015-05-13 CN disclosed
CN-102893209-B Liquid crystal aligning agent containing polyamic acid ester and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2015-05-06 CN disclosed
CN-102893206-B Liquid crystal alignment agent containing end-modified polyamic acid ester, and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2015-04-01 CN disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 US disclosed