⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14764644 | 1.00 | — | — | |
| SCHEMBL15913316 | 1.00 | — | — | |
| SCHEMBL14861673 | 0.89 | — | — | |
| SCHEMBL15931492 | 0.89 | — | — | |
| SCHEMBL14861674 | 0.89 | — | — | |
| SCHEMBL15913639 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL14764487 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL14764485 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL14861628 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL15917257 | 0.79 | TSHR (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2753296-B1 | FRAGRANCE COMPOUNDS AND COMPOSITIONS | GIVAUDAN SA (CH) | 2015-08-12 | — | — | EP | claimed |
| WO-2013034657-A1 | FRAGRANCE COMPOUNDS AND COMPOSITIONS | GIVAUDAN SA (CH) | 2013-03-14 | — | — | WO | claimed |
| CN-103764105-B | Flavor compounds and compositions | GIVAUDAN S.A. (CH) | 2016-03-30 | — | — | CN | disclosed |
| US-9109186-B2 | Fragrance compounds and compositions | GIVAUDAN S.A. (CH) | 2015-08-18 | — | — | US | disclosed |
| EP-2753296-B1 | FRAGRANCE COMPOUNDS AND COMPOSITIONS | GIVAUDAN SA (CH) | 2015-08-12 | — | — | EP | disclosed |
| US-20140221263-A1 | FRAGRANCE COMPOUNDS AND COMPOSITIONS | GIVAUDAN SA (CH) | 2014-08-07 | — | — | US | disclosed |
| CN-103764105-A | Fragrance compounds and compositions | GIVAUDAN SA | 2014-04-30 | — | — | CN | disclosed |
| WO-2013034657-A1 | FRAGRANCE COMPOUNDS AND COMPOSITIONS | GIVAUDAN SA (CH) | 2013-03-14 | — | — | WO | disclosed |