⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12910052 | 0.78 | CHRM4 (0.34) | — | |
| SCHEMBL8298087 | 0.71 | — | — | |
| SCHEMBL9515802 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL14782113 | 0.69 | — | — | |
| Oxalic Acid SCHEMBL9721718 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL16863001 | 0.66 | — | — | |
| SCHEMBL20031334 | 0.66 | CHRNB2 (0.32) | — | |
| SCHEMBL11292473 | 0.65 | — | — | |
| SCHEMBL29893327 | 0.64 | — | — | |
| SCHEMBL15382219 | 0.64 | — | — |
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-20230131465-A1 | 3-PHENOXYAZETIDIN-1-YL-HETEROARYL PYRROLIDINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-04-27 | — | — | US | disclosed |