⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4640869 | 0.84 | CYP1A2 (0.37) | — | |
| SCHEMBL528454 | 0.82 | NOS1 (0.36) | — | |
| SCHEMBL18543669 | 0.80 | ESR2 (0.38) | — | |
| SCHEMBL18543677 | 0.80 | SIGMAR1 (0.37) | — | |
| SCHEMBL1111257 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL10772000 | 0.78 | SIGMAR1 (0.38) | — | |
| SCHEMBL3766467 | 0.75 | CYP4F2 (0.36) | — | |
| SCHEMBL10776190 | 0.75 | ESR2 (0.30) | — | |
| SCHEMBL79065 | 0.75 | — | — | |
| SCHEMBL7990543 | 0.75 | CYP1A2 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140142343-A1 | Novel Fragrance Compounds | GIVAUDAN NEDERLAND SERVICES B.V. (CH) | 2014-05-22 | — | — | US | disclosed |
| US-8709994-B2 | Fragrance compounds | GIVAUDAN NEDERLAND SERVICES B.V. (NL) | 2014-04-29 | — | — | US | disclosed |
| EP-2077986-B1 | NOVEL FRAGRANCE COMPOUNDS | GIVAUDAN NEDERLAND SERVICES BV (NL) | 2013-12-04 | — | — | EP | disclosed |
| EP-2657218-A1 | Novel Fragrance Compounds | Givaudan Nederland Services B.V. (NL) | 2013-10-30 | — | — | EP | disclosed |
| US-20100069287-A1 | Novel Fragrance Compounds | GIVAUDAN NEDERLAND SERVICES B.V. (CH) | 2010-03-18 | — | — | US | disclosed |
| EP-2077986-A1 | NOVEL FRAGRANCE COMPOUNDS | Givaudan Nederland Services B.V. (NL) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008053148-A1 | NOVEL FRAGRANCE COMPOUNDS | GIVAUDAN NEDERLAND SERVICES B.V. (NL) | 2008-05-08 | — | — | WO | disclosed |