⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31035898 | 0.97 | — | — | |
| SCHEMBL10011 | 0.97 | — | — | |
| Water SCHEMBL28202650 | 0.93 | — | — | |
| Water SCHEMBL28848094 | 0.93 | MCL1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27431624 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29551256 | 0.93 | CYP2D6 (0.46) | — | |
| Phosphine SCHEMBL28376179 | 0.93 | — | — | |
| SCHEMBL29275148 | 0.93 | — | — | |
| Propane SCHEMBL28986125 | 0.93 | — | — | |
| Bromide SCHEMBL1729291 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106279607-A | A kind of with polyurethane foamed material that carbon dioxide is environmentally friendly latency foaming agent and preparation method thereof | 常州大学 | 2017-01-04 | — | — | CN | disclosed |