⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14428401 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL3680895 | 0.76 | CASP1 (0.42) | — | |
| SCHEMBL24716501 | 0.74 | TP53 (0.32) | — | |
| SCHEMBL4036805 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL17873440 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL20607766 | 0.73 | BACE1 (0.41) | — | |
| SCHEMBL28093500 | 0.73 | — | — | |
| SCHEMBL2992480 | 0.73 | TDP1 (0.52) | — | |
| SCHEMBL31395718 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL15566154 | 0.72 | PTK2 (0.35) | — |
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-2012083059-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012083048-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |