SCHEMBL21596776

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
	SCHEMBL12012754	0.81	NOS3 (0.39)	LMNATP53KLKB1MAP4K1MASP2
	SCHEMBL3890977	0.80	ROCK1 (0.46)	KLKB1MAP4K1MASP2F9IDO1
	SCHEMBL28579520	0.79	KLKB1 (0.37)	LTB4RKLKB1MAP4K1MASP2IDO1
	Hydrochloric Acid SCHEMBL23201164	0.78	ROCK1 (0.45)	KLKB1MAP4K1MASP2F9IDO1
	SCHEMBL13486443	0.77	IKBKE (0.43)	DYRK1ALTB4RKLKB1MAP4K1MASP2
	SCHEMBL7534371	0.77	ROCK1 (0.41)	LTB4RKLKB1MAP4K1MASP2F9
	SCHEMBL6931962	0.77	TEC (0.50)	MAOA
	Methylsulfanylmethane SCHEMBL7534377	0.76	ROCK1 (0.41)	LTB4RKLKB1MAP4K1MASP2F9
	SCHEMBL6957651	0.75	LTB4R (0.47)	LTB4RF9
	SCHEMBL16059525	0.75	CYP2D6 (0.47)	—

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 13 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 (4 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.