⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17241390 | 0.77 | CA2 (0.43) | — | |
| SCHEMBL4904221 | 0.76 | — | — | |
| SCHEMBL11178461 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL9190724 | 0.72 | — | — | |
| SCHEMBL2988925 | 0.71 | MMP1 (0.52) | — | |
| SCHEMBL2980554 | 0.71 | MMP1 (0.52) | — | |
| SCHEMBL2692319 | 0.71 | MMP1 (0.52) | — | |
| SCHEMBL11805541 | 0.70 | — | — | |
| SCHEMBL10661929 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL9465988 | 0.70 | — | — |
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-1884555-A2 | Masking mineral oil smell and scenting of mineral oils | Symrise GmbH & Co. KG (DE) | 2008-02-06 | — | — | EP | disclosed |