⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29263408 | 0.97 | — | — | |
| SCHEMBL198 | 0.96 | — | — | |
| SCHEMBL11480259 | 0.96 | — | — | |
| SCHEMBL21373228 | 0.96 | — | — | |
| SCHEMBL288066 | 0.96 | — | — | |
| SCHEMBL18813405 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL20601961 | 0.93 | — | — | |
| Water SCHEMBL2170632 | 0.93 | — | — | |
| SCHEMBL27951792 | 0.93 | — | — | |
| SCHEMBL27540763 | 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-106661444-A | Mixture, nano fiber, and polarized light emissive film | 默克专利股份有限公司 | 2017-05-10 | — | — | CN | claimed |