⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2986423 | 0.70 | — | — | |
| SCHEMBL13811069 | 0.68 | POLB (0.31) | — | |
| SCHEMBL9803938 | 0.67 | — | — | |
| SCHEMBL255341 | 0.67 | — | — | |
| SCHEMBL13491264 | 0.66 | POLB (0.31) | — | |
| SCHEMBL19983917 | 0.65 | MAPT (0.36) | — | |
| SCHEMBL15660011 | 0.65 | CRBN (0.35) | — | |
| SCHEMBL125758 | 0.62 | — | — | |
| SCHEMBL28863276 | 0.62 | CYP1A2 (0.30) | — | |
| SCHEMBL8059526 | 0.62 | CA1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105754099-B | Composition and polymer | 旭化成株式会社 | 2018-09-18 | — | — | CN | disclosed |
| EP-1901618-B1 | HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE | SYMRISE GMBH & CO KG (DE) | 2009-06-17 | — | — | EP | disclosed |
| US-20080227866-A1 | Hydroxyphenylalkadiones and Their Use for Masking Bitter Taste and/or for Intensifying Sweet Taste | SYMRISE GMBH & CO. KG (DE) | 2008-09-18 | — | — | US | disclosed |
| EP-1901618-A1 | HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE | Symrise GmbH & Co. KG (DE) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007003527-A1 | HYDROXYPHENYLALKADIONES AND THEIR USE FOR MASKING BITTER TASTE AND/OR FOR INTENSIFYING SWEET TASTE | SYMRISE GMBH & CO. KG (DE) | 2007-01-11 | — | — | WO | disclosed |
| EP-1003730-A1 | 2-BENZOYL-CYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999007688-A1 | 2-BENZOYL-CYCLOHEXANE-1,3-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-18 | — | — | WO | disclosed |