⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8315801 | 0.85 | — | — | |
| SCHEMBL26289822 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL14291822 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL7529018 | 0.78 | RAB9A (0.37) | — | |
| SCHEMBL26808231 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL20565373 | 0.76 | GRM2 (0.31) | — | |
| SCHEMBL26289831 | 0.75 | KDM4E (0.35) | — | |
| Dimethylformamide SCHEMBL5643757 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL8870392 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL20565639 | 0.72 | MEN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0945451-A1 | Photochrome diaryl-naphtopyran with at least one aminosubstituted aryl rest | Optische Werke G. Rodenstock (DE) | 1999-09-29 | — | — | EP | disclosed |