⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3679611 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8085440 | 0.95 | — | — | |
| Water SCHEMBL27395128 | 0.95 | — | — | |
| SCHEMBL2034410 | 0.90 | — | — | |
| Water SCHEMBL28246854 | 0.87 | OR51E2 (0.42) | — | |
| SCHEMBL11235218 | 0.87 | — | — | |
| Water SCHEMBL27490917 | 0.87 | — | — | |
| Pyridine SCHEMBL28371475 | 0.82 | FKBP5 (0.34) | — | |
| SCHEMBL2321017 | 0.81 | — | — | |
| SCHEMBL27716076 | 0.79 | FKBP5 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002539214-A | — | — | 2002-11-19 | — | — | JP | claimed |
| US-20020082420-A1 | Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-06-27 | — | — | US | claimed |
| EP-1163242-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | claimed |
| WO-2000055162-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | claimed |
| US-20020082420-A1 | Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-06-27 | — | — | US | disclosed |
| EP-1163242-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055162-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |