⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10489433 | 0.81 | MGAM (0.32) | — | |
| SCHEMBL14319914 | 0.81 | MGAM (0.32) | — | |
| SCHEMBL23134814 | 0.81 | — | — | |
| SCHEMBL24857044 | 0.81 | — | — | |
| SCHEMBL27257947 | 0.79 | — | — | |
| SCHEMBL13620623 | 0.78 | MGAM (0.31) | — | |
| SCHEMBL7521682 | 0.78 | MGAM (0.31) | — | |
| SCHEMBL24240893 | 0.77 | — | — | |
| SCHEMBL23334753 | 0.77 | GAA (0.31) | — | |
| SCHEMBL8195101 | 0.76 | — | — |
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-2023215494-A1 | THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF | ERASCA, INC. (US) | 2023-11-09 | — | — | WO | disclosed |
| EP-4223761-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2023-08-09 | — | — | EP | disclosed |
| WO-2011071758-A1 | 3,6-DIAZABICYCLO[3.1.1]HEPTANES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | TARGACEPT, INC. (US) | 2011-06-16 | — | — | WO | disclosed |