⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL316874 | 1.00 | — | — | |
| SCHEMBL247940 | 1.00 | — | — | |
| SCHEMBL7095284 | 0.94 | ALDH1A1 (0.39) | — | |
| SCHEMBL28875471 | 0.78 | — | — | |
| SCHEMBL1553936 | 0.78 | — | — | |
| SCHEMBL1553938 | 0.78 | — | — | |
| SCHEMBL22642050 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL5383072 | 0.75 | — | — | |
| SCHEMBL4962942 | 0.75 | — | — | |
| SCHEMBL3639789 | 0.75 | — | — |
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-20220291209-A1 | MOLECULAR TARGET IN CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2022-09-15 | — | — | US | disclosed |
| WO-2022104206-A1 | KINASE MODULATORS AND METHODS OF USE THEREOF | NEURON23, INC. (US) | 2022-05-19 | — | — | WO | disclosed |