⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10535413 | 0.79 | LMNA (0.38) | — | |
| SCHEMBL9849570 | 0.75 | HSD17B10 (0.30) | — | |
| SCHEMBL2886819 | 0.73 | — | — | |
| SCHEMBL10594433 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL6141328 | 0.71 | — | — | |
| SCHEMBL26092918 | 0.71 | LMNA (0.57) | — | |
| SCHEMBL29107385 | 0.71 | — | — | |
| SCHEMBL137324 | 0.71 | — | — | |
| SCHEMBL21295688 | 0.71 | — | — | |
| SCHEMBL3283949 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008537746-A | — | — | 2008-09-25 | — | — | JP | claimed |
| EP-1866699-A1 | PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS | TRANSITIONS OPTICAL, INC. (US) | 2007-12-19 | — | — | EP | claimed |
| WO-2006110219-A1 | PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS | TRANSITIONS OPTICAL, INC. (US) | 2006-10-19 | — | — | WO | claimed |