⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28868217 | 0.74 | ALDH1A1 (0.79) | — | |
| SCHEMBL8415199 | 0.69 | — | — | |
| SCHEMBL13574390 | 0.67 | — | — | |
| SCHEMBL1087685 | 0.67 | — | — | |
| SCHEMBL1724327 | 0.67 | — | — | |
| Methane SCHEMBL28175090 | 0.64 | — | — | |
| SCHEMBL27981862 | 0.64 | — | — | |
| SCHEMBL5607672 | 0.61 | — | — | |
| SCHEMBL11710305 | 0.61 | — | — | |
| SCHEMBL9803647 | 0.61 | ALDH1A1 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0065190-B1 | PREPARATION OF IODOMETHYL THIOCYANATE | BASF Aktiengesellschaft (DE) | 1984-10-10 | — | — | EP | claimed |
| EP-2216372-B1 | Compounds for preventing Ghost odour | THOR GMBH (DE) | 2014-06-04 | — | — | EP | disclosed |
| US-8287631-B2 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| EP-2216372-A1 | Compounds for preventing Ghost odour | THOR GmbH (DE) | 2010-08-11 | — | — | EP | disclosed |
| US-20100186631-A1 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
| EP-0065190-A1 | Preparation of Iodomethyl thiocyanate | BASF Aktiengesellschaft (DE) | 1982-11-24 | — | — | EP | disclosed |