⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4422287 | 0.64 | CDC25A (0.32) | — | |
| SCHEMBL191884 | 0.64 | GRIN2D (0.41) | — | |
| SCHEMBL7257102 | 0.61 | GRIN2D (0.34) | — | |
| SCHEMBL11519156 | 0.59 | TSHR (0.36) | — | |
| SCHEMBL6889514 | 0.57 | GRIN2D (0.31) | — | |
| SCHEMBL24848616 | 0.56 | GRIN2D (0.31) | — | |
| SCHEMBL16980478 | 0.56 | — | — | |
| SCHEMBL13059435 | 0.56 | — | — | |
| SCHEMBL2239665 | 0.56 | SLC22A2 (0.36) | — | |
| SCHEMBL31493460 | 0.56 | — | — |
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-20080032913-A1 | Masking of mineral oil odor and fragrancing of mineral oils | SYMRISE GMBH & CO. KG (DE) | 2008-02-07 | — | — | US | claimed |
| EP-1884555-A2 | Masking mineral oil smell and scenting of mineral oils | Symrise GmbH & Co. KG (DE) | 2008-02-06 | — | — | EP | claimed |