⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904600 | 0.72 | — | — | |
| SCHEMBL3674028 | 0.72 | — | — | |
| SCHEMBL5844197 | 0.72 | — | — | |
| SCHEMBL904427 | 0.72 | — | — | |
| SCHEMBL649682 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL1898943 | 0.69 | CYP3A4 (0.38) | — | |
| SCHEMBL6181011 | 0.69 | CA2 (0.43) | — | |
| SCHEMBL17336725 | 0.69 | CYP3A4 (0.42) | — | |
| SCHEMBL2020886 | 0.69 | TAAR1 (0.52) | — | |
| SCHEMBL1000044 | 0.67 | POLB (0.48) | — |
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-8287631-B2 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20100186631-A1 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |