⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3417846 | 0.70 | GPR84 (0.34) | — | |
| SCHEMBL4898409 | 0.70 | OPRM1 (0.32) | — | |
| SCHEMBL3421667 | 0.69 | GPR84 (0.37) | — | |
| SCHEMBL214351 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL17818691 | 0.67 | — | — | |
| SCHEMBL1956858 | 0.67 | — | — | |
| SCHEMBL17818690 | 0.66 | — | — | |
| SCHEMBL1576778 | 0.66 | TSHR (0.34) | — | |
| SCHEMBL3422310 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL16225261 | 0.63 | USP2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2118169-A1 | CURABLE COMPOSITION | Huntsman Advanced Materials (Switzerland) GmbH (CH) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008110564-A1 | CURABLE COMPOSITION | HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) | 2008-09-18 | — | — | WO | disclosed |