SCHEMBL16289263

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
	SCHEMBL16288137	0.85	CYP2A6 (0.43)	CYP2A6NOS3NOS1NOS2LOXL2
	SCHEMBL548410	0.64	CYP2A6 (0.50)	CYP2A6NOS3NOS1NOS2PGR
	SCHEMBL827799	0.64	CYP2A6 (1.00)	CYP2A6NOS3NOS1NOS2PGR
	SCHEMBL29968261	0.64	CYP2A6 (1.00)	CYP2A6NOS3NOS1NOS2PGR
	SCHEMBL16289866	0.61	CA1 (0.41)	CYP2A6PGRLOXL2IMPDH2IMPDH1
	SCHEMBL2072467	0.61	IMPDH2 (0.47)	NOS3NOS1NOS2LOXL2IMPDH2
	SCHEMBL11518261	0.61	CYP2A6 (0.47)	CYP2A6NOS3NOS1NOS2ALDH1A1
	SCHEMBL16289106	0.61	G6PD (0.33)	CYP2A6LOXL2IMPDH2IMPDH1CA2
	SCHEMBL644338	0.61	CA1 (0.44)	CYP2A6LOXL2IMPDH2IMPDH1CA2
	SCHEMBL18440637	0.61	CYP2A6 (0.47)	CYP2A6NOS3NOS1NOS2PGR

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.

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.