⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9916974 | 0.79 | F2 (0.33) | — | |
| SCHEMBL9916996 | 0.78 | ATM (0.32) | — | |
| SCHEMBL9917059 | 0.69 | — | — | |
| SCHEMBL9915944 | 0.69 | — | — | |
| SCHEMBL9916040 | 0.65 | ACE (0.32) | — | |
| SCHEMBL9916035 | 0.65 | RIPK1 (0.43) | — | |
| SCHEMBL9917014 | 0.64 | POLB (0.33) | — | |
| SCHEMBL9917115 | 0.56 | — | — | |
| SCHEMBL31538060 | 0.55 | TSHR (0.35) | — | |
| SCHEMBL9893204 | 0.54 | CHRM2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120148954-A1 | N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION | KURARAY CO., LTD. (JP) | 2012-06-14 | — | — | US | disclosed |