⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1009562 | 0.94 | HPGD (0.35) | — | |
| SCHEMBL1010971 | 0.91 | CA12 (0.31) | — | |
| SCHEMBL1189076 | 0.88 | PDK2 (0.33) | — | |
| SCHEMBL1007779 | 0.88 | PDK2 (0.33) | — | |
| SCHEMBL25844582 | 0.88 | ALKBH3 (0.33) | — | |
| SCHEMBL166808 | 0.87 | PAX8 (0.33) | — | |
| SCHEMBL8513127 | 0.86 | CHEK1 (0.36) | — | |
| SCHEMBL30708924 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL3705699 | 0.86 | KDM4E (0.34) | — | |
| SCHEMBL1186784 | 0.85 | NR1H4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2494408-B9 | PHOTOCHROMIC MATERIALS | TRANSITIONS OPTICAL INC (US) | 2015-09-02 | — | — | EP | disclosed |
| EP-2494408-B1 | PHOTOCHROMIC MATERIALS | TRANSITIONS OPTICAL INC (US) | 2015-04-15 | — | — | EP | disclosed |
| US-8518305-B2 | Photochromic materials | TRANSITIONS OPTICAL, INC. (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110108781-A1 | PHOTOCHROMIC MATERIALS | TRANSITIONS OPTICAL, INC. (US) | 2011-05-12 | — | — | US | disclosed |