⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21633942 | 0.90 | GBA1 (0.35) | — | |
| SCHEMBL2439872 | 0.89 | — | — | |
| SCHEMBL27832626 | 0.89 | ALOX5 (0.32) | — | |
| SCHEMBL2970868 | 0.88 | ABCB11 (0.30) | — | |
| SCHEMBL2970867 | 0.88 | ABCB11 (0.30) | — | |
| SCHEMBL23924479 | 0.87 | CYP1A2 (0.36) | — | |
| SCHEMBL21651110 | 0.84 | ESR1 (0.37) | — | |
| SCHEMBL21633968 | 0.84 | — | — | |
| SCHEMBL10922329 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL9762850 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585569-A1 | PERFUME SYSTEMS | The Procter and Gamble Company (US) | 2013-05-01 | — | — | EP | claimed |
| WO-2011163337-A1 | PERFUME SYSTEMS | THE PROCTER & GAMBLE COMPANY (US) | 2011-12-29 | — | — | WO | claimed |
| CN-102300550-A | Perfume systems | — | 2011-12-28 | — | — | CN | claimed |
| EP-2985273-B1 | COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR AND/OR FRAGANCE COMPOSITION CONTAINING SAME | TAKASAGO PERFUMERY CO LTD (JP) | 2018-07-04 | — | — | EP | disclosed |