⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11942667 | 0.77 | — | — | |
| SCHEMBL24239378 | 0.77 | — | — | |
| SCHEMBL17887362 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5766466 | 0.74 | — | — | |
| SCHEMBL16661417 | 0.72 | — | — | |
| SCHEMBL16148202 | 0.69 | — | — | |
| SCHEMBL32683937 | 0.69 | MAOA (0.39) | — | |
| SCHEMBL3577665 | 0.67 | — | — | |
| SCHEMBL973231 | 0.67 | — | — | |
| SCHEMBL16611475 | 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-20160114042-A1 | AMINE-CONTAINING LIPIDOIDS AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-04-28 | — | — | US | disclosed |
| EP-2330129-A2 | Anti-TNF antibodies, compositions, methods and uses | Centocor Ortho Biotech Inc. (US) | 2011-06-08 | — | — | EP | disclosed |