SCHEMBL5488559

SCHEMBL5488559

CC(C)[Ti](CNCCN)(CNCCN)CNCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA6 P23280 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA5A P35218 4/20 0.41
CA3 P07451 3/20 0.41
ALOX15 P16050 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL35331 0.78 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL3344220 0.76 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL3345333 0.70 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL3338636 0.70 CA12 (0.50) CA12CA6CA7CA9CA14
Isopropylamine SCHEMBL27588232 0.69 CA12 (0.67) CA12CA6CA7CA9CA14
SCHEMBL4461214 0.69 CA12 (0.61) CA12CA6CA7CA9CA14
Iodide SCHEMBL8346129 0.67 CA12 (0.91) CA12CA6CA7CA9CA14
Iodide SCHEMBL5699199 0.67 CA12 (0.91) CA12CA6CA7CA9CA14
SCHEMBL17472963 0.67 CA12 (0.62) CA12CA6CA7CA9CA14
Isopropyl Alcohol SCHEMBL11146748 0.67 CA12 (0.62) CA12CA6CA7CA9CA14

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
US-20070224340-A1 Interlayer Film for Glass Laminate and Glass Laminate SEKISHI CHEMICAL CO., LTD (JP) 2007-09-27 US disclosed
US-7230064-B2 Process for the preparation of urethane resins and urethane resin compositions KONISHI CO., LTD. (JP) 2007-06-12 US disclosed
EP-0659684-B1 Flame retardant and flame-retardant resin composition KAISUI KAGAKU KENKYUJO KK (JP) 1998-03-11 EP disclosed
US-5480929-A RESIN OR RUBBER WITH METAL HYDROXIDE FOR FIREPROOFING KABUSHIKI KAISHA KAISUI KAGAKU KENKYUJO (JP) 1996-01-02 US disclosed
EP-0659684-A1 Flame retardant and flame-retardant resin composition KABUSHIKI KAISHA KAISUI KAGAKU KENKYUJO (JP) 1995-06-28 EP disclosed
US-5422092-A Composite metal hydroxide which is solid solution containing calcium hydroxide KABUSHIKI KAISHA KAISUI KAGAKU KENKYUJO (JP) 1995-06-06 US disclosed