SCHEMBL96898

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
	SCHEMBL3345733	0.92	TSHR (0.44)	TSHRCYP3A4CYP2D6CYP2C9LIPG
	SCHEMBL30845912	0.92	TSHR (0.44)	TSHRCYP3A4CYP2D6CYP2C9LIPG
	SCHEMBL5599488	0.90	TSHR (0.41)	TSHRCYP3A4CYP2D6CYP2C9LIPG
	Propionaldehyde SCHEMBL29282081	0.89	CYP3A4 (0.41)	TSHRCYP3A4CYP2D6CYP2C9LIPG
	Butanal SCHEMBL4564980	0.88	CYP3A4 (0.40)	TSHRCYP3A4CYP2D6CYP2C9LIPG
	SCHEMBL3693829	0.86	LIPG (0.50)	TSHRLIPGTRPV1THRATHRB
	Pentanal SCHEMBL29110702	0.85	TSHR (0.48)	TSHRCYP3A4CYP2D6CYP2C9LIPG
	SCHEMBL28437315	0.85	LIPG (0.53)	TSHRLIPGTRPV1FAAHTHRA
	SCHEMBL20339544	0.84	CYP3A4 (0.44)	CYP3A4CYP2D6CYP2C9LIPGTHRA
	SCHEMBL29520482	0.82	LIPG (0.56)	CYP3A4CYP2D6CYP2C9LIPGNR1H2

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 (3 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.