⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9639870 | 0.76 | — | — | |
| SCHEMBL21652238 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL7268482 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL3836708 | 0.64 | — | — | |
| SCHEMBL26806858 | 0.61 | — | — | |
| SCHEMBL890196 | 0.58 | — | — | |
| SCHEMBL3719827 | 0.58 | ALDH1A1 (0.43) | — | |
| Acetic Acid SCHEMBL28238009 | 0.56 | HCAR2 (0.48) | — | |
| SCHEMBL16414432 | 0.56 | CYP11B2 (0.39) | — | |
| SCHEMBL3681812 | 0.55 | TSHR (0.47) | — |
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-20240226113-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. | 2024-07-11 | — | — | US | disclosed |
| WO-2023215801-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KUMQUAT BIOSCIENCES INC. (US) | 2023-11-09 | — | — | WO | disclosed |