⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5070170 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL5697722 | 0.59 | TRPA1 (0.32) | — | |
| SCHEMBL1235562 | 0.56 | — | — | |
| SCHEMBL250896 | 0.56 | — | — | |
| SCHEMBL21461 | 0.56 | — | — | |
| Hydrogen Sulfide SCHEMBL25430738 | 0.53 | — | — | |
| SCHEMBL10607368 | 0.53 | — | — | |
| Phosphine SCHEMBL8825861 | 0.53 | — | — | |
| SCHEMBL8540335 | 0.53 | — | — | |
| Methane SCHEMBL21683041 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0208541-B1 | LUBRICANT COMPOSITIONS | NIPPON OIL CO. LTD. (JP) | 1991-12-04 | — | — | EP | disclosed |
| EP-0208541-A2 | Lubricant compositions | NIPPON OIL CO. LTD. (JP) | 1987-01-14 | — | — | EP | disclosed |