⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL784551 | 0.82 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL13946795 | 0.82 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL2871939 | 0.78 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL9792846 | 0.77 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL5518792 | 0.77 | — | — | |
| SCHEMBL5511881 | 0.77 | — | — | |
| SCHEMBL932508 | 0.77 | — | — | |
| SCHEMBL2159081 | 0.77 | — | — | |
| SCHEMBL1966385 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL8871226 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334201-B1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO PERFUMERY CO LTD (JP) | 2016-07-27 | — | — | EP | claimed |
| US-20110256071-A1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-10-20 | — | — | US | claimed |
| EP-2334201-A1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | Takasago International Corporation (JP) | 2011-06-22 | — | — | EP | claimed |
| WO-2010042938-A1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2010-04-15 | — | — | WO | claimed |
| EP-2334201-B1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO PERFUMERY CO LTD (JP) | 2016-07-27 | — | — | EP | disclosed |
| US-8445051-B2 | Thiol-containing fragrance and flavor materials | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2013-05-21 | — | — | US | disclosed |
| US-20110256071-A1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-10-20 | — | — | US | disclosed |
| EP-2334201-A1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | Takasago International Corporation (JP) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010042938-A1 | THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2010-04-15 | — | — | WO | disclosed |