⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30407118 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL1850273 | 0.78 | RORC (0.34) | — | |
| SCHEMBL1735849 | 0.73 | ABCG2 (0.32) | — | |
| SCHEMBL9506276 | 0.70 | ABCG2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28359865 | 0.70 | HTR2C (0.39) | — | |
| SCHEMBL31412834 | 0.68 | CHRNB4 (0.43) | — | |
| SCHEMBL29973138 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL5100128 | 0.66 | KDM4E (0.30) | — | |
| SCHEMBL30912029 | 0.66 | CA2 (0.36) | — | |
| SCHEMBL547193 | 0.66 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946440-B1 | 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM | CORNING INC (US) | 2003-04-23 | — | — | EP | disclosed |
| US-6099759-A | USED IN PHOTOCHROMIC OPHTHALMIC ARTICLES SUCH AS LENSES | CORNING INCORPORATED (US) | 2000-08-08 | — | — | US | disclosed |
| US-6099759-A | USED IN PHOTOCHROMIC OPHTHALMIC ARTICLES SUCH AS LENSES | CORNING INCORPORATED (US) | 2000-08-08 | — | — | US | disclosed |
| EP-0946440-A4 | 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM | CORNING INC (US) | 2000-03-22 | — | — | EP | disclosed |
| CN-1241170-A | 2-adamantyl benzopyrans, composition and (co)polymer matrixes contg. them | CORNING INC (US) | 2000-01-12 | — | — | CN | disclosed |
| EP-0946440-A1 | 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM | CORNING INCORPORATED (US) | 1999-10-06 | — | — | EP | disclosed |
| US-5888432-A | PHOTOCHROMIC COMPOUNDS | CORNING INCORPORATED (US) | 1999-03-30 | — | — | US | disclosed |
| WO-1998028235-A1 | 2-ADAMANTYL BENZOPYRANS, THE COMPOSITIONS AND (CO)POLYMER MATRICES CONTAINING THEM | CORNING INCORPORATED (US) | 1998-07-02 | — | — | WO | disclosed |