⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31661949 | 0.91 | EPHX1 (0.33) | — | |
| SCHEMBL8283509 | 0.91 | EPHX2 (0.33) | — | |
| SCHEMBL8283502 | 0.91 | EPHX2 (0.33) | — | |
| SCHEMBL17818902 | 0.90 | EPHX1 (0.38) | — | |
| SCHEMBL30277414 | 0.90 | EPHX1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30621145 | 0.89 | EPHX1 (0.32) | — | |
| SCHEMBL8283504 | 0.87 | EPHX1 (0.38) | — | |
| SCHEMBL8469241 | 0.85 | MAPK8 (0.35) | — | |
| SCHEMBL8469580 | 0.85 | L3MBTL3 (0.33) | — | |
| SCHEMBL8472389 | 0.85 | L3MBTL3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025074305-A1 | N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2025-04-10 | — | — | WO | disclosed |
| CN-101687810-A | Bicyclic compound and pharmaceutical use thereof | TAKEDA PHARMACEUTICAL | 2010-03-31 | — | — | CN | disclosed |
| WO-2008063625-A2 | PYRIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2008-05-29 | — | — | WO | disclosed |