⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18518424 | 0.78 | — | — | |
| SCHEMBL17399998 | 0.78 | MCHR1 (0.34) | — | |
| SCHEMBL13212026 | 0.78 | — | — | |
| SCHEMBL9936038 | 0.77 | — | — | |
| SCHEMBL12905013 | 0.70 | USP2 (0.31) | — | |
| SCHEMBL16889134 | 0.70 | POLB (0.30) | — | |
| SCHEMBL22309865 | 0.70 | GAA (0.33) | — | |
| SCHEMBL22898252 | 0.68 | — | — | |
| SCHEMBL22910622 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL929559 | 0.68 | USP2 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3573959-B1 | BENZYLAMINOPYRAZINYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-07-28 | — | — | EP | disclosed |
| EP-3532458-B1 | BENZYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2021-01-20 | — | — | EP | disclosed |