⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34471141 | 0.65 | — | — | |
| SCHEMBL3187336 | 0.60 | — | — | |
| SCHEMBL9147261 | 0.57 | — | — | |
| SCHEMBL8404495 | 0.57 | KDM4E (0.40) | — | |
| SCHEMBL16651034 | 0.56 | — | — | |
| SCHEMBL7559570 | 0.55 | — | — | |
| SCHEMBL4110758 | 0.55 | — | — | |
| SCHEMBL758498 | 0.55 | RAD51 (0.46) | — | |
| SCHEMBL312460 | 0.54 | — | — | |
| SCHEMBL21676744 | 0.54 | KDM4E (0.36) | — |
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-2021211984-A1 | DIELS-ALDER CONJUGATION METHODS | REGENERON PHARMACEUTICALS, INC. (US) | 2021-10-21 | — | — | WO | disclosed |