⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21899203 | 0.94 | FKBP5 (0.31) | — | |
| SCHEMBL13775942 | 0.79 | FKBP5 (0.34) | — | |
| SCHEMBL2181673 | 0.72 | — | — | |
| SCHEMBL8346675 | 0.71 | OR51E2 (0.31) | — | |
| SCHEMBL4565785 | 0.69 | — | — | |
| SCHEMBL18638307 | 0.68 | OR51E2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4401074 | 0.68 | — | — | |
| SCHEMBL14529354 | 0.68 | LMNA (0.30) | — | |
| SCHEMBL7075808 | 0.66 | — | — | |
| SCHEMBL19222495 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2888245-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-07-01 | — | — | EP | claimed |
| WO-2014029723-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-27 | — | — | WO | claimed |
| EP-2888245-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014029723-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-27 | — | — | WO | disclosed |
| EP-0973498-A1 | GASTROINTESTINAL MUCOSA-ADHERENT PHARMACEUTICAL COMPOSITION | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998042311-A1 | GASTROINTESTINAL MUCOSA-ADHERENT PHARMACEUTICAL COMPOSITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-01 | — | — | WO | disclosed |