⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19481013 | 0.85 | HCRTR1 (0.41) | — | |
| SCHEMBL30767902 | 0.79 | NOTUM (0.46) | — | |
| SCHEMBL5790843 | 0.78 | NOTUM (0.47) | — | |
| SCHEMBL19481008 | 0.75 | GABRP (0.41) | — | |
| SCHEMBL16039381 | 0.75 | HCRTR2 (0.43) | — | |
| SCHEMBL7919899 | 0.75 | NOTUM (0.47) | — | |
| SCHEMBL1587001 | 0.74 | HCRTR1 (0.49) | — | |
| SCHEMBL1671789 | 0.73 | HCRTR1 (0.49) | — | |
| SCHEMBL28457554 | 0.73 | MYC (0.50) | — | |
| SCHEMBL4457296 | 0.73 | NOTUM (0.49) | — |
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-3442965-B1 | NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES | BOEHRINGER INGELHEIM INT (DE) | 2021-05-26 | — | — | EP | disclosed |
| WO-2017178344-A1 | NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |