⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17830004 | 1.00 | — | — | |
| SCHEMBL17830005 | 1.00 | — | — | |
| SCHEMBL11921 | 0.85 | — | — | |
| SCHEMBL60463 | 0.85 | — | — | |
| SCHEMBL15504873 | 0.85 | — | — | |
| SCHEMBL11926 | 0.85 | — | — | |
| SCHEMBL1760663 | 0.83 | CYP1A2 (0.64) | — | |
| Bromide SCHEMBL27865865 | 0.83 | CYP1A2 (0.53) | — | |
| SCHEMBL3476022 | 0.83 | CYP1A2 (0.64) | — | |
| Iodide SCHEMBL29010172 | 0.83 | CYP1A2 (0.53) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022087634-A1 | CTPS1 INHIBITORS AND USES THEREOF | NIMBUS CLOTHO, INC. (US) | 2022-04-28 | — | — | WO | disclosed |