⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4363984 | 0.84 | — | — | |
| SCHEMBL4366708 | 0.79 | — | — | |
| SCHEMBL17923688 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL45094 | 0.76 | — | — | |
| SCHEMBL28156358 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL2811099 | 0.72 | — | — | |
| SCHEMBL141859 | 0.69 | — | — | |
| Water SCHEMBL11085514 | 0.69 | — | — | |
| SCHEMBL5907424 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL15026 | 0.69 | — | — |
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 |