⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14524250 | 0.88 | EPHX2 (0.38) | — | |
| SCHEMBL2913449 | 0.77 | BRD4 (0.32) | — | |
| SCHEMBL2913451 | 0.77 | MAOA (0.34) | — | |
| SCHEMBL8307009 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL8307011 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL8307014 | 0.77 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL28686169 | 0.76 | MAOA (0.33) | — | |
| SCHEMBL22784331 | 0.76 | BRD4 (0.44) | — | |
| SCHEMBL13247590 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL3046023 | 0.72 | TSHR (0.37) | — |
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-5700817-A | Cyclic lipid derivatives as potent PAF antagonists | POHANG IRON & STEEL CO., LTD. (KR) | 1997-12-23 | — | — | US | disclosed |