⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21208 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL2430803 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL8388110 | 0.93 | — | — | |
| Ethylene SCHEMBL1072149 | 0.93 | — | — | |
| Propene SCHEMBL3794853 | 0.90 | — | — | |
| SCHEMBL6375418 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL8658212 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL7650786 | 0.84 | TSHR (0.35) | — | |
| Ethylene SCHEMBL1796636 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL7624149 | 0.82 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5167876-A | Protective clothing; military aircraft interiors | ALLIED-SIGNAL INC. (US) | 1992-12-01 | — | — | US | disclosed |
| WO-1992010363-A1 | FLAME RESISTANT BALLISTIC COMPOSITE | ALLIED-SIGNAL INC. (US) | 1992-06-25 | — | — | WO | disclosed |