⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4369793 | 1.00 | — | — | |
| SCHEMBL4374902 | 0.82 | — | — | |
| SCHEMBL4374920 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL28179853 | 0.78 | ALDH1A1 (0.36) | — | |
| Methyl Alcohol SCHEMBL27831139 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL3973233 | 0.78 | — | — | |
| SCHEMBL15187 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL153517 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL302071 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL22444527 | 0.78 | ALDH1A1 (0.39) | — |
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-20090035696-A1 | PHOTORESIST COMPOSITION | KYOWA HAKKO CHEMICAL CO., LTD. (JP) | 2009-02-05 | — | — | US | disclosed |