⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13887261 | 0.78 | — | — | |
| SCHEMBL19027564 | 0.77 | NOS1 (0.33) | — | |
| SCHEMBL18978670 | 0.77 | NOS1 (0.33) | — | |
| SCHEMBL7991916 | 0.76 | — | — | |
| SCHEMBL18725034 | 0.76 | — | — | |
| SCHEMBL19144313 | 0.75 | — | — | |
| SCHEMBL12158650 | 0.75 | — | — | |
| SCHEMBL12318078 | 0.74 | — | — | |
| SCHEMBL12087601 | 0.74 | — | — | |
| SCHEMBL13068746 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020203514-A1 | COLORING COMPOSITION, COMPOUND, COLOR FILTER, AND DISPLAY DEVICE | 住友化学株式会社 | 2020-10-08 | — | — | WO | disclosed |
| EP-1322309-B1 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20080187491-A1 | For diagnosis, genetic engineering; post-translation modification | AMBRX, INC. (US) | 2008-08-07 | — | — | US | disclosed |