⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10623492 | 0.71 | — | — | |
| SCHEMBL71329 | 0.69 | — | — | |
| SCHEMBL7568984 | 0.69 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL4438451 | 0.69 | — | — | |
| SCHEMBL11772819 | 0.69 | CA1 (0.36) | — | |
| SCHEMBL83058 | 0.67 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL15763954 | 0.65 | CA1 (0.33) | — | |
| SCHEMBL10438993 | 0.65 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL15763917 | 0.65 | PRSS1 (0.34) | — | |
| SCHEMBL2541080 | 0.63 | SMN1; SMN2 (0.31) | — |
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-1180029-A4 | BICYCLIC ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2002-10-02 | — | — | EP | disclosed |
| EP-1180029-A1 | BICYCLIC ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000064445-A1 | BICYCLIC ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-02 | — | — | WO | disclosed |