⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL22587227 | 0.74 | HSD17B10 (0.49) | — | |
| SCHEMBL22587228 | 0.74 | HSD17B10 (0.49) | — | |
| SCHEMBL22566345 | 0.73 | HSD17B10 (0.51) | — | |
| SCHEMBL12139944 | 0.72 | — | — | |
| SCHEMBL593240 | 0.68 | — | — | |
| SCHEMBL20673861 | 0.67 | HSD17B10 (0.42) | — | |
| SCHEMBL29249620 | 0.67 | HSD17B10 (0.50) | — | |
| SCHEMBL8183345 | 0.67 | — | — | |
| SCHEMBL29263924 | 0.67 | HSD17B10 (0.67) | — | |
| SCHEMBL22360202 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713544-B2 | Biological component comprising artificial membrane | EMORY UNIVERSITY (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713544-B2 | Biological component comprising artificial membrane | EMORY UNIVERSITY (US) | 2010-05-11 | — | — | US | disclosed |