⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19302545 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL15082423 | 0.83 | TDP1 (0.30) | — | |
| SCHEMBL14983812 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL15834901 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL9918955 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL16456189 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL16786513 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL5081930 | 0.73 | MGLL (0.36) | — | |
| SCHEMBL14983814 | 0.72 | — | — | |
| SCHEMBL8578987 | 0.70 | TDP1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149861-A1 | LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF | ISP INVESTMENTS LLC | 2012-06-14 | — | — | US | disclosed |