⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6421998 | 0.66 | — | — | |
| SCHEMBL14492437 | 0.60 | — | — | |
| SCHEMBL17791423 | 0.60 | — | — | |
| SCHEMBL22927046 | 0.57 | — | — | |
| SCHEMBL17190585 | 0.56 | — | — | |
| SCHEMBL2813711 | 0.55 | — | — | |
| SCHEMBL16189170 | 0.52 | — | — | |
| SCHEMBL21374382 | 0.52 | — | — | |
| SCHEMBL1261763 | 0.52 | — | — | |
| SCHEMBL24003245 | 0.50 | — | — |
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-2020237132-A1 | CARBENE MASS TAGGING | NORTHEASTERN UNIVERSITY (US) | 2020-11-26 | — | — | WO | disclosed |