⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22693491 | 0.83 | PDK2 (0.30) | — | |
| SCHEMBL27114755 | 0.74 | CYP1A2 (0.35) | — | |
| SCHEMBL12342530 | 0.71 | FABP3 (0.31) | — | |
| SCHEMBL18698259 | 0.71 | IDH1 (0.34) | — | |
| SCHEMBL16704468 | 0.70 | — | — | |
| SCHEMBL15504790 | 0.69 | GABRA1 (0.35) | — | |
| SCHEMBL16418630 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL21719387 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL21719378 | 0.67 | — | — | |
| SCHEMBL21718532 | 0.67 | HDAC8 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230322853-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PROLIFERATIVE DISEASES AND DISORDERS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2023-10-12 | — | — | US | disclosed |
| US-20230062022-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC (US) | 2023-03-02 | — | — | US | disclosed |
| US-20190248774-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2019-08-15 | — | — | US | disclosed |