⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL115342 | 0.97 | — | — | |
| Water SCHEMBL28004132 | 0.94 | — | — | |
| Ethylene SCHEMBL27637339 | 0.94 | — | — | |
| SCHEMBL27526900 | 0.94 | — | — | |
| SCHEMBL1025487 | 0.94 | — | — | |
| SCHEMBL28044296 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL10482853 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1427875 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL27703613 | 0.94 | — | — | |
| SCHEMBL28044281 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105778179-B | A kind of rubber composition and application | 南京思凯橡塑制品有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-105778179-A | Rubber composition and application thereof | 南京思凯橡塑制品有限公司 | 2016-07-20 | — | — | CN | disclosed |