⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12087698 | 0.79 | — | — | |
| SCHEMBL5586376 | 0.79 | — | — | |
| SCHEMBL5586375 | 0.79 | — | — | |
| SCHEMBL9925984 | 0.79 | — | — | |
| SCHEMBL7711659 | 0.79 | — | — | |
| SCHEMBL5586377 | 0.79 | — | — | |
| SCHEMBL4149724 | 0.68 | — | — | |
| SCHEMBL10723932 | 0.68 | APLNR (0.33) | — | |
| SCHEMBL18596805 | 0.67 | — | — | |
| SCHEMBL4667610 | 0.65 | ALDH1A1 (0.30) | — |
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-1334383-A2 | OPTICAL WAVEGUIDE | Bayer Aktiengesellschaft (DE) | 2003-08-13 | — | — | EP | disclosed |
| EP-1325360-A1 | POLYCARBONATE OPTICAL FIBRE | Bayer Aktiengesellschaft (DE) | 2003-07-09 | — | — | EP | disclosed |
| EP-1325369-A1 | OPTICAL FIBRE | Bayer Aktiengesellschaft (DE) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002037148-A2 | OPTICAL WAVEGUIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-10 | — | — | WO | disclosed |
| WO-2002029447-A1 | POLYCARBONATE OPTICAL FIBRE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-11 | — | — | WO | disclosed |
| WO-2002029458-A1 | OPTICAL FIBRE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-11 | — | — | WO | disclosed |