SCHEMBL5199709

CC(Cl)C(C)(C)C(=O)N(c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(C(=O)C(C)(C)C(C)Cl)C3CCCCC3)c2F)c1F)C1CCCCC1

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.

Compound	similarity	top predicted	shared targets
SCHEMBL7612851	0.89	ALDH1A1 (0.30)	—
SCHEMBL5666818	0.85	RIPK1 (0.34)	—
SCHEMBL482927	0.84	—	—
SCHEMBL482529	0.80	SLC6A9 (0.38)	—
SCHEMBL269339	0.79	ALDH1A1 (0.39)	—
SCHEMBL483067	0.78	HPGD (0.45)	—
SCHEMBL483253	0.75	—	—
SCHEMBL482715	0.74	—	—
SCHEMBL1726711	0.74	PARP1 (0.35)	—
SCHEMBL6438998	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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1728838-B1	Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same	FUJIFILM CORP (JP)	2007-08-15	—	—	EP	disclosed
EP-1728838-A1	Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same	Fuji Photo Film Co., Ltd. (JP)	2006-12-06	—	—	EP	disclosed
US-20060268083-A1	Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same	FUJI PHOTO FILM CO., LTD.	2006-11-30	—	—	US	disclosed
US-6476092-B1	Photopolymerizable composition containing a polymerizable acrylic compound with hetero-substituted methyl or halo-substituted methyl at the alpha position	FUJI PHOTO FILM CO., LTD. (JP)	2002-11-05	—	—	US	disclosed