⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28125921 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL27666140 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL29162964 | 0.83 | ESR1 (0.39) | — | |
| SCHEMBL5690530 | 0.83 | ESR1 (0.39) | — | |
| Ethylene SCHEMBL27875041 | 0.79 | TDP2 (0.37) | — | |
| SCHEMBL30046229 | 0.78 | TDP2 (0.40) | — | |
| SCHEMBL10596363 | 0.78 | TDP2 (0.40) | — | |
| SCHEMBL29171482 | 0.78 | TDP2 (0.40) | — | |
| Methane SCHEMBL27485523 | 0.76 | TDP2 (0.39) | — | |
| Methane SCHEMBL27860149 | 0.76 | TDP2 (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-20120116041-A1 | REACTIVE SYSTEMS CONTAINING FORMAMIDES | BAYER MATERIALSCIENCE AG (DE) | 2012-05-10 | — | — | US | disclosed |