⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21370638 | 0.74 | GUCY1B2 (0.45) | — | |
| SCHEMBL3437318 | 0.73 | GUCY1B2 (0.53) | — | |
| SCHEMBL18404854 | 0.71 | — | — | |
| SCHEMBL24297454 | 0.69 | GUCY1B2 (0.47) | — | |
| SCHEMBL18404922 | 0.67 | GUCY1B2 (0.54) | — | |
| SCHEMBL18899295 | 0.67 | GUCY1B2 (0.44) | — | |
| SCHEMBL18405031 | 0.66 | GUCY1B2 (0.49) | — | |
| SCHEMBL18404932 | 0.64 | GUCY1B2 (0.43) | — | |
| SCHEMBL18899388 | 0.63 | GUCY1B2 (0.40) | — | |
| SCHEMBL18405171 | 0.61 | GUCY1B2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3173407-A1 | SGC STIMULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2017-05-31 | — | — | EP | disclosed |