⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18425240 | 1.00 | — | — | |
| SCHEMBL18416033 | 1.00 | — | — | |
| SCHEMBL17214654 | 1.00 | — | — | |
| SCHEMBL18416034 | 1.00 | — | — | |
| SCHEMBL18567168 | 1.00 | — | — | |
| SCHEMBL31325373 | 0.87 | EPHX2 (0.30) | — | |
| SCHEMBL18567164 | 0.86 | PTPN1 (0.30) | — | |
| SCHEMBL17214658 | 0.86 | PTPN1 (0.30) | — | |
| SCHEMBL17214528 | 0.86 | PTPN1 (0.30) | — | |
| SCHEMBL17214657 | 0.86 | PTPN1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10407378-B2 | Compound, and flavor and/or fragrance composition containing said compound | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2019-09-10 | — | — | US | disclosed |
| EP-3135663-A1 | NOVEL COMPOUND, AND FLAVOR COMPOSITION CONTAINING SAID COMPOUND | Takasago International Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-20170029358-A1 | NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2017-02-02 | — | — | US | disclosed |
| US-20170029358-A1 | NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2017-02-02 | — | — | US | disclosed |
| WO-2015163023-A1 | NOVEL COMPOUND, AND FLAVOR COMPOSITION CONTAINING SAID COMPOUND | 高砂香料工業株式会社 | 2015-10-29 | — | — | WO | disclosed |