⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9981745 | 0.85 | ACHE (0.33) | — | |
| SCHEMBL9982799 | 0.85 | KDM1A (0.36) | — | |
| SCHEMBL1739143 | 0.82 | — | — | |
| SCHEMBL9982452 | 0.82 | PDK2 (0.31) | — | |
| SCHEMBL9981500 | 0.82 | PARP10 (0.35) | — | |
| SCHEMBL9982570 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL9982228 | 0.81 | ALDH1A1 (0.45) | — | |
| SCHEMBL9981286 | 0.81 | — | — | |
| SCHEMBL1739054 | 0.80 | HTR1A (0.33) | — | |
| SCHEMBL9982083 | 0.79 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| US-8211514-B2 | Reverse dispersion retardation film and liquid crystal display device using the same | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2012-07-03 | — | — | US | disclosed |