⚠ 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 | |
|---|---|---|---|---|
| Urethane SCHEMBL6290769 | 1.00 | ALOX15 (0.94) | — | |
| Urethane SCHEMBL1359705 | 1.00 | ALOX15 (0.94) | — | |
| Urethane SCHEMBL1359706 | 1.00 | ALOX15 (0.94) | — | |
| Urethane SCHEMBL250833 | 1.00 | — | — | |
| Urethane SCHEMBL16987199 | 0.97 | — | — | |
| Urethane SCHEMBL27404836 | 0.97 | — | — | |
| Urethane SCHEMBL2421998 | 0.97 | — | — | |
| Urethane SCHEMBL8830978 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL8505249 | 0.97 | ALOX15 (1.00) | — | |
| Urethane SCHEMBL367439 | 0.97 | ALOX15 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005206687-A | PASTE GRAFFITI/STAIN REMOVER | NAITO ALCON KK | 2005-08-04 | — | — | JP | disclosed |