⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39837 | 0.96 | — | — | |
| Water SCHEMBL27488584 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL6653979 | 0.93 | — | — | |
| Phosphine SCHEMBL27930495 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27771318 | 0.93 | — | — | |
| SCHEMBL6865192 | 0.93 | — | — | |
| SCHEMBL31382807 | 0.93 | — | — | |
| Hydrogen Sulfide SCHEMBL27509488 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL28660623 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL6653517 | 0.90 | — | — |
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-5908879-A | A POLYSILOXANE COATING ON THE SURFACE OF THE PARTICLE. | KURARAY CO., LTD. (JP) | 1999-06-01 | — | — | US | disclosed |