⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16381970 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL27419867 | 0.78 | — | — | |
| SCHEMBL19859627 | 0.77 | — | — | |
| SCHEMBL11221170 | 0.77 | — | — | |
| SCHEMBL19859624 | 0.77 | — | — | |
| SCHEMBL11153371 | 0.76 | — | — | |
| SCHEMBL2649622 | 0.76 | — | — | |
| SCHEMBL2645752 | 0.76 | — | — | |
| SCHEMBL1680597 | 0.76 | — | — | |
| SCHEMBL5014124 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3082875-B1 | PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF | GENENTECH INC (US) | 2020-11-25 | — | — | EP | disclosed |