⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3146135 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL3143247 | 0.87 | PAX8 (0.30) | — | |
| SCHEMBL3145423 | 0.85 | — | — | |
| SCHEMBL30476316 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL9934603 | 0.81 | AURKA (0.34) | — | |
| SCHEMBL25836099 | 0.81 | KDM4E (0.31) | — | |
| SCHEMBL25844695 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL3150944 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL25529849 | 0.79 | KDM4E (0.35) | — | |
| SCHEMBL3137185 | 0.78 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963896-B1 | PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS | TRANSITIONS OPTICAL INC (US) | 2010-02-10 | — | — | EP | claimed |
| US-7556751-B2 | Photochromic materials having electron-withdrawing substituents | TRANSITIONS OPTICAL, INC. (US) | 2009-07-07 | — | — | US | claimed |
| US-20070138449-A1 | Photochromic materials having electron-withdrawing substituents | TRANSITIONS OPTICAL LIMITED (IE) | 2007-06-21 | — | — | US | claimed |
| EP-3331581-B1 | MECHANOPHORIC MEDICAL PRODUKT | AESCULAP AG (DE) | 2020-07-08 | — | — | EP | disclosed |
| EP-1963896-B1 | PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS | TRANSITIONS OPTICAL INC (US) | 2010-02-10 | — | — | EP | disclosed |
| US-7556751-B2 | Photochromic materials having electron-withdrawing substituents | TRANSITIONS OPTICAL, INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-20070138449-A1 | Photochromic materials having electron-withdrawing substituents | TRANSITIONS OPTICAL LIMITED (IE) | 2007-06-21 | — | — | US | disclosed |