⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1635803 | 0.71 | — | — | |
| SCHEMBL18689511 | 0.69 | — | — | |
| SCHEMBL3685692 | 0.69 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL12517739 | 0.62 | — | — | |
| SCHEMBL14520166 | 0.62 | ALDH1A1 (0.46) | — | |
| SCHEMBL14510004 | 0.61 | — | — | |
| SCHEMBL15200333 | 0.61 | — | — | |
| SCHEMBL10177097 | 0.60 | — | — | |
| SCHEMBL12513370 | 0.60 | — | — | |
| SCHEMBL272078 | 0.59 | MAPT (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012009698-A1 | PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS | ABBOTT LABORATORIES (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012009699-A2 | PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-01-19 | — | — | WO | disclosed |