⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13621673 | 0.97 | — | — | |
| Water SCHEMBL2152723 | 0.97 | — | — | |
| SCHEMBL15222 | 0.97 | — | — | |
| SCHEMBL7533725 | 0.97 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2152574 | 0.94 | — | — | |
| SCHEMBL8342097 | 0.94 | — | — | |
| Guanidine SCHEMBL7748639 | 0.94 | ALDH1A1 (0.30) | — | |
| SCHEMBL8489236 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL22127086 | 0.94 | — | — | |
| Iodide SCHEMBL2153064 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512975-B1 | Insulating wood fibre board | LEITGEB AG (AT) | 1993-12-22 | — | — | EP | claimed |