⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9897877 | 0.89 | ESR1 (0.34) | — | |
| SCHEMBL3145997 | 0.88 | APP (0.32) | — | |
| SCHEMBL9897950 | 0.87 | LMNA (0.32) | — | |
| SCHEMBL25604440 | 0.86 | APP (0.33) | — | |
| SCHEMBL24620697 | 0.85 | APP (0.33) | — | |
| SCHEMBL25848926 | 0.84 | PDK2 (0.30) | — | |
| SCHEMBL10102278 | 0.84 | IDH1 (0.30) | — | |
| SCHEMBL14617526 | 0.84 | PDK2 (0.30) | — | |
| SCHEMBL10102284 | 0.84 | PDK2 (0.30) | — | |
| SCHEMBL9897863 | 0.83 | HTT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120145973-A1 | Photochromic Materials That Include Indeno-Fused Naphthopyrans | TRANSITIONS OPTICAL INC. (US) | 2012-06-14 | — | — | US | claimed |
| US-9028728-B2 | Photochromic materials that include indeno-fused naphthopyrans | TRANSITIONS OPTICAL, INC. (US) | 2015-05-12 | — | — | US | disclosed |
| US-20120145973-A1 | Photochromic Materials That Include Indeno-Fused Naphthopyrans | TRANSITIONS OPTICAL INC. (US) | 2012-06-14 | — | — | US | disclosed |