SCHEMBL17878477

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
	SCHEMBL17878470	1.00	CYP2A6 (0.41)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL17878498	0.95	CYP2A6 (0.40)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL17878500	0.92	ESR1 (0.42)	ESR1ESR2ALDH1A1CYP1A2KDM4E
	SCHEMBL17878475	0.92	ALDH1A1 (0.37)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL14849850	0.90	CYP2A6 (0.48)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL29992507	0.90	CYP2A6 (0.48)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL17878492	0.89	CYP2A6 (0.38)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL18090366	0.89	CYP2A6 (0.40)	CYP2A6ESR1ESR2ALDH1A1CYP1A2
	SCHEMBL17878469	0.88	CYP2A6 (0.45)	CYP2A6ALDH1A1CYP1A2KDM4ECYP2C9
	SCHEMBL7047750	0.88	ESR1 (0.42)	CYP2A6ESR1ESR2ALDH1A1CYP1A2

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 5 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.