⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19817570 | 0.84 | — | — | |
| SCHEMBL1077051 | 0.84 | — | — | |
| SCHEMBL11696965 | 0.82 | OPRM1 (0.44) | — | |
| SCHEMBL28838066 | 0.80 | OPRM1 (0.43) | — | |
| SCHEMBL5968272 | 0.80 | OPRM1 (0.43) | — | |
| SCHEMBL323070 | 0.80 | OPRM1 (0.43) | — | |
| SCHEMBL28057452 | 0.79 | OPRM1 (0.41) | — | |
| SCHEMBL28112623 | 0.79 | OPRM1 (0.41) | — | |
| SCHEMBL7556714 | 0.77 | — | — | |
| SCHEMBL25456782 | 0.76 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011126706-A2 | PRINTABLE MATERIALS AND METHODS OF MANUFACTURE THEREOF | HENKEL CORPORATION (US) | 2011-10-13 | — | — | WO | disclosed |