⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8849824 | 0.71 | — | — | |
| SCHEMBL11298691 | 0.67 | — | — | |
| SCHEMBL15439208 | 0.67 | — | — | |
| SCHEMBL7239850 | 0.67 | — | — | |
| SCHEMBL1435402 | 0.67 | — | — | |
| SCHEMBL5586230 | 0.67 | — | — | |
| SCHEMBL8919474 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL1005740 | 0.65 | — | — | |
| SCHEMBL9792778 | 0.65 | — | — | |
| SCHEMBL2994287 | 0.65 | — | — |
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-4735081-A | Method and apparatus for detecting presence and concentration of vapors in gaseous fluids | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1988-04-05 | — | — | US | claimed |
| US-4735081-A | Method and apparatus for detecting presence and concentration of vapors in gaseous fluids | HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) | 1988-04-05 | — | — | US | disclosed |