⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12166836 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL18869245 | 0.81 | CA1 (0.42) | — | |
| SCHEMBL10158426 | 0.79 | — | — | |
| SCHEMBL12166630 | 0.78 | INPP5A (0.38) | — | |
| SCHEMBL12159803 | 0.78 | INPP5A (0.38) | — | |
| SCHEMBL10158088 | 0.78 | CYP1A2 (0.42) | — | |
| SCHEMBL20859372 | 0.75 | — | — | |
| SCHEMBL22912295 | 0.73 | PLG (0.33) | — | |
| SCHEMBL12166528 | 0.71 | CA1 (0.54) | — | |
| SCHEMBL12166541 | 0.70 | TRPA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220153719-A1 | GPR119 AGONISTS | KALLYOPE, INC. | 2022-05-19 | — | — | US | disclosed |