⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL11661434 | 0.95 | FFAR3 (1.00) | — | |
| Propionic Acid SCHEMBL11176741 | 0.95 | — | — | |
| Propionic Acid SCHEMBL19409 | 0.95 | FFAR3 (1.00) | — | |
| Propionic Acid SCHEMBL1332599 | 0.95 | — | — | |
| Propionic Acid SCHEMBL290 | 0.95 | — | — | |
| Propionic Acid SCHEMBL1331656 | 0.95 | — | — | |
| Propionic Acid SCHEMBL7088331 | 0.95 | FFAR3 (1.00) | — | |
| Propionic Acid SCHEMBL1331605 | 0.95 | — | — | |
| Propionic Acid SCHEMBL1462509 | 0.95 | FFAR3 (1.00) | — | |
| Propionic Acid SCHEMBL7102943 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105408328-A | sGC stimulators | IRONWOOD PHARMACEUTICALS INC | 2016-03-16 | — | — | CN | disclosed |