⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15724626 | 0.95 | MEN1 (0.30) | — | |
| SCHEMBL15724625 | 0.94 | MEN1 (0.31) | — | |
| SCHEMBL12887130 | 0.89 | — | — | |
| SCHEMBL13589747 | 0.87 | TYR (0.35) | — | |
| SCHEMBL12610242 | 0.86 | — | — | |
| SCHEMBL15724560 | 0.86 | — | — | |
| SCHEMBL15724629 | 0.86 | — | — | |
| SCHEMBL12610499 | 0.85 | — | — | |
| SCHEMBL12886986 | 0.85 | — | — | |
| SCHEMBL15724557 | 0.84 | — | — |
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-9184315-B2 | Photoelectric materials and preparation thereof | NANKAI UNIVERSITY (CN) | 2015-11-10 | — | — | US | disclosed |
| US-20140142308-A1 | PHOTOELECTRIC MATERIALS AND PREPARATION THEREOF | NANKAI UNIVERSITY (CN) | 2014-05-22 | — | — | US | disclosed |