⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4670913 | 0.89 | HTT (0.33) | — | |
| Benzene SCHEMBL7241926 | 0.88 | KDM1A (0.34) | — | |
| SCHEMBL2599683 | 0.87 | ALDH1A1 (0.38) | — | |
| SCHEMBL2599681 | 0.87 | KDM4E (0.38) | — | |
| SCHEMBL7241920 | 0.83 | MMP9 (0.31) | — | |
| SCHEMBL4670884 | 0.82 | KDM1A (0.35) | — | |
| SCHEMBL29808393 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL20565609 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL3926851 | 0.77 | DPP4 (0.36) | — | |
| SCHEMBL20565903 | 0.77 | KDM4E (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461330-B1 | 3H-NAPHTHO[2,1-b]-PYRANE DERIVATIVES AND THEIR USE | RODENSTOCK GMBH (DE) | 2008-03-12 | — | — | EP | claimed |
| US-6967249-B2 | Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith | RODENSTOCK GMBH (DE) | 2005-11-22 | — | — | US | claimed |
| US-20040267013-A1 | Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith | RODENSTOCK GMBH | 2004-12-30 | — | — | US | claimed |
| EP-1461330-B1 | 3H-NAPHTHO[2,1-b]-PYRANE DERIVATIVES AND THEIR USE | RODENSTOCK GMBH (DE) | 2008-03-12 | — | — | EP | disclosed |
| US-6967249-B2 | Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith | RODENSTOCK GMBH (DE) | 2005-11-22 | — | — | US | disclosed |
| US-20040267013-A1 | Photochromic 3H-naphtho[2,1-b]-pyran compounds and photochromic articles produced therewith | RODENSTOCK GMBH | 2004-12-30 | — | — | US | disclosed |