⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37136 | 0.95 | — | — | |
| Water SCHEMBL8848944 | 0.95 | — | — | |
| SCHEMBL10339487 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL21838765 | 0.91 | — | — | |
| SCHEMBL3269957 | 0.91 | — | — | |
| SCHEMBL23218025 | 0.91 | — | — | |
| SCHEMBL8895617 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6643669 | 0.91 | — | — | |
| Water SCHEMBL8502324 | 0.91 | — | — | |
| SCHEMBL544753 | 0.91 | — | — |
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-20090292081-A1 | Alternative Crosslinking Technology | BANGKOK SYNTHETICS CO., LTD. (TH) | 2009-11-26 | — | — | US | claimed |