⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4272524 | 1.00 | — | — | |
| SCHEMBL15327594 | 0.78 | — | — | |
| SCHEMBL17416332 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7210374 | 0.77 | — | — | |
| SCHEMBL27693428 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL8729386 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL9232871 | 0.74 | FFAR1 (0.35) | — | |
| SCHEMBL17822676 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL347445 | 0.71 | — | — | |
| SCHEMBL16222685 | 0.69 | — | — |
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-7034015-B2 | Interleukin 1 beta and tumour necrosis factor alpha inhibitors | LEO PHARMA A/S (DK) | 2006-04-25 | — | — | US | disclosed |