Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4800486 | 0.96 | HSD17B3 (0.55) | HSD17B3NOTUM | |
| SCHEMBL6390337 | 0.96 | HSD17B3 (0.61) | HSD17B3NOTUM | |
| SCHEMBL6394814 | 0.93 | HSD17B3 (0.56) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4800684 | 0.91 | HSD17B3 (0.60) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4801457 | 0.86 | HSD17B3 (0.67) | HSD17B3 | |
| SCHEMBL6394723 | 0.84 | HSD17B3 (0.65) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4800399 | 0.82 | HSD17B3 (0.72) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4802063 | 0.82 | HSD17B3 (0.63) | HSD17B3 | |
| Trifluoroacetic Acid SCHEMBL4796955 | 0.81 | HSD17B3 (0.64) | HSD17B3NOTUM | |
| Trifluoroacetic Acid SCHEMBL4800115 | 0.81 | HSD17B3 (0.56) | HSD17B3NOTUM |
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-7417040-B2 | Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-08-26 | — | — | US | disclosed |