⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9833320 | 0.69 | — | — | |
| SCHEMBL27420370 | 0.68 | CHRM5 (0.40) | — | |
| SCHEMBL10590933 | 0.68 | — | — | |
| SCHEMBL2202748 | 0.66 | — | — | |
| SCHEMBL2271249 | 0.66 | DDB1 (0.40) | — | |
| SCHEMBL7414886 | 0.63 | — | — | |
| SCHEMBL9830411 | 0.63 | — | — | |
| SCHEMBL6984665 | 0.63 | — | — | |
| SCHEMBL3704857 | 0.62 | DDB1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL29882239 | 0.61 | DDB1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1224183-B1 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1224183-A2 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001027107-A2 | HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-04-19 | — | — | WO | disclosed |