⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19649222 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL3670484 | 0.86 | — | — | |
| SCHEMBL671849 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL670618 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL672134 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL12805667 | 0.77 | — | — | |
| SCHEMBL1231253 | 0.77 | ALDH1A1 (0.57) | — | |
| SCHEMBL1679082 | 0.77 | — | — | |
| SCHEMBL19649386 | 0.74 | ALDH1A1 (0.74) | — | |
| Hydrochloric Acid SCHEMBL8999629 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230174550-A1 | IDH MUTANT INHIBITOR AND USE THEREOF | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2023-06-08 | — | — | US | disclosed |
| CN-107108653-B | Pyrazolothiazole compound and medicine | 日本新药株式会社 | 2019-04-09 | — | — | CN | disclosed |
| EP-0747348-A4 | AMINOALKYLCYCLOPROPANE DERIVATIVE | ASAHI CHEMICAL IND (JP) | 1999-07-07 | — | — | EP | disclosed |
| WO-1995022521-A1 | AMINOALKYLCYCLOPROPANE DERIVATIVE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1995-08-24 | — | — | WO | disclosed |