⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27870429 | 0.79 | — | — | |
| SCHEMBL3019157 | 0.72 | — | — | |
| SCHEMBL15249603 | 0.67 | — | — | |
| SCHEMBL9111436 | 0.66 | — | — | |
| SCHEMBL24721701 | 0.66 | HPGD (0.33) | — | |
| SCHEMBL6789364 | 0.65 | WRN (0.35) | — | |
| SCHEMBL5233763 | 0.65 | CES2 (0.32) | — | |
| SCHEMBL14761179 | 0.64 | HSP90AA1 (0.44) | — | |
| SCHEMBL14761513 | 0.64 | RAB9A (0.36) | — | |
| SCHEMBL566671 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0717740-A1 | PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE | Ciba SC Holding AG (CH) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007275-A1 | PHOTOCHROMIC COMPOUNDS, METHODS AND INTERMEDIATES FOR PRODUCING THEM AND THEIR USE | CIBA-GEIGY AG (CH) | 1995-03-16 | — | — | WO | disclosed |