⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL27614292 | 0.82 | — | — | |
| Butadiene SCHEMBL3868356 | 0.80 | — | — | |
| SCHEMBL6820 | 0.74 | — | — | |
| SCHEMBL308507 | 0.73 | — | — | |
| SCHEMBL23300848 | 0.68 | — | — | |
| SCHEMBL10400340 | 0.68 | — | — | |
| Water SCHEMBL9175584 | 0.68 | — | — | |
| Butadiene SCHEMBL10763042 | 0.68 | TRPA1 (0.36) | — | |
| SCHEMBL7905425 | 0.68 | — | — | |
| Chloromethane SCHEMBL9644256 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019180285-A2 | ORGANOFUNCTIONAL SILOXANES, PROCESS FOR PREPARING SAME AND THEIR USE FOR THE TREATMENT OF FILLINGS AND SURFACES | ABCR LABORATORIOS, S.L. (ES) | 2019-09-26 | — | — | WO | disclosed |