SCHEMBL29693045

[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c2[2H])c1N

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
SCHEMBL29693044	0.74	CRHBP (0.31)	—
P-Xylene SCHEMBL2137209	0.69	—	—
SCHEMBL6318211	0.67	NPC1 (0.44)	—
SCHEMBL31613852	0.67	HKDC1 (0.34)	—
SCHEMBL16871690	0.66	ALDH1A1 (0.43)	—
SCHEMBL17589274	0.63	GABRA1 (0.35)	—
SCHEMBL1822460	0.63	ALDH1A1 (0.62)	—
SCHEMBL31754135	0.63	HKDC1 (0.37)	—
SCHEMBL30968186	0.63	ALDH1A1 (0.54)	—
SCHEMBL10608487	0.63	ALDH1A1 (0.54)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20220209142-A1	ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE	SAMSUNG DISPLAY CO., LTD. (KR)	2022-06-30	—	—	US	disclosed