⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22729289 | 0.94 | — | — | |
| SCHEMBL22729293 | 0.86 | — | — | |
| SCHEMBL22729309 | 0.78 | — | — | |
| SCHEMBL201560 | 0.77 | AKR1C3 (0.33) | — | |
| SCHEMBL7848249 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL3959165 | 0.72 | CA1 (0.40) | — | |
| SCHEMBL22729307 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL22729272 | 0.71 | — | — | |
| SCHEMBL31423409 | 0.71 | KMT2A (0.42) | — | |
| SCHEMBL22729300 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200392107-A1 | CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2020-12-17 | — | — | US | disclosed |
| EP-3747879-A1 | CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Toray Industries, Inc. (JP) | 2020-12-09 | — | — | EP | disclosed |