⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21758078 | 0.79 | — | — | |
| SCHEMBL29339006 | 0.78 | — | — | |
| SCHEMBL21758080 | 0.73 | — | — | |
| SCHEMBL21758081 | 0.73 | TP53 (0.34) | — | |
| SCHEMBL21758144 | 0.70 | — | — | |
| SCHEMBL29339018 | 0.67 | — | — | |
| SCHEMBL10183581 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL16015554 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL15223162 | 0.62 | — | — | |
| SCHEMBL18744819 | 0.62 | — | — |
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-20200062783-A1 | PHOTO LEWIS ACID GENERATOR | NIPPON SHOKUBAI CO., LTD. (JP) | 2020-02-27 | — | — | US | disclosed |