⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130005 | 0.71 | — | — | |
| SCHEMBL131895 | 0.69 | — | — | |
| SCHEMBL358501 | 0.68 | — | — | |
| SCHEMBL6181820 | 0.68 | — | — | |
| Water SCHEMBL29518359 | 0.68 | — | — | |
| SCHEMBL242413 | 0.68 | — | — | |
| SCHEMBL27508836 | 0.67 | — | — | |
| Butanedione SCHEMBL10621897 | 0.63 | — | — | |
| Acetone SCHEMBL27275393 | 0.63 | — | — | |
| SCHEMBL7815753 | 0.63 | — | — |
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-6159654-A | Negative photosensitive polymer composition of a thermosetting polymer precursor curable by cyclodehydration upon heating | KABUSHIKI KAISHA TOSHIBA (JP) | 2000-12-12 | — | — | US | disclosed |