⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13011838 | 0.84 | — | — | |
| SCHEMBL14479063 | 0.81 | — | — | |
| SCHEMBL15849889 | 0.80 | — | — | |
| SCHEMBL13011822 | 0.79 | — | — | |
| SCHEMBL18845003 | 0.79 | — | — | |
| SCHEMBL18197763 | 0.78 | — | — | |
| SCHEMBL12764582 | 0.78 | — | — | |
| SCHEMBL23351349 | 0.78 | — | — | |
| SCHEMBL12309108 | 0.78 | — | — | |
| SCHEMBL12764622 | 0.77 | ALDH1A1 (0.30) | — |
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-8765354-B2 | Resist composition for negative development and method of forming resist pattern | TOKYO OHKA KOGYO CO., LTD. (JP) | 2014-07-01 | — | — | US | disclosed |