⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL28162059 | 0.84 | — | — | |
| SCHEMBL29239249 | 0.81 | — | — | |
| SCHEMBL8059207 | 0.79 | — | — | |
| SCHEMBL12658636 | 0.79 | — | — | |
| SCHEMBL14023142 | 0.77 | — | — | |
| SCHEMBL14500148 | 0.77 | — | — | |
| SCHEMBL1764477 | 0.77 | — | — | |
| SCHEMBL14500149 | 0.77 | — | — | |
| SCHEMBL21469631 | 0.77 | SLC6A1 (0.48) | — | |
| SCHEMBL22367975 | 0.77 | SLC6A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023177356-A2 | COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2023-09-21 | — | — | WO | disclosed |
| US-7615648-B2 | Aminomethyl-azacycle derivatives as inhibitors of monoamine uptake | ELI LILLY AND COMPANY (US) | 2009-11-10 | — | — | US | disclosed |