⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4135275 | 0.90 | — | — | |
| SCHEMBL4139377 | 0.89 | PDK2 (0.32) | — | |
| SCHEMBL4137497 | 0.88 | ESR1 (0.33) | — | |
| SCHEMBL4143991 | 0.84 | PDK2 (0.32) | — | |
| SCHEMBL4125806 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL4130753 | 0.81 | PDK2 (0.34) | — | |
| SCHEMBL4137370 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL4137484 | 0.78 | — | — | |
| SCHEMBL4137298 | 0.76 | PDK2 (0.35) | — | |
| SCHEMBL4128524 | 0.74 | PDK2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090068569-A1 | Resin composition for hologram recording material, hologram recording material, and method for producing hologram recording medium | NIPPON PAINT CO., LTD. | 2009-03-12 | — | — | US | disclosed |