⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24251245 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL16181653 | 0.70 | — | — | |
| SCHEMBL19774864 | 0.67 | — | — | |
| SCHEMBL12553070 | 0.65 | — | — | |
| Butanedione SCHEMBL4879228 | 0.62 | TSHR (0.64) | — | |
| Acetic Acid SCHEMBL29763144 | 0.62 | — | — | |
| SCHEMBL931540 | 0.62 | — | — | |
| SCHEMBL15901493 | 0.62 | — | — | |
| Acetone SCHEMBL11550933 | 0.60 | — | — | |
| Butanedione SCHEMBL3273053 | 0.60 | — | — |
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-3082872-B1 | PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF | GENENTECH INC (US) | 2020-12-09 | — | — | EP | disclosed |