⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2430618 | 1.00 | — | — | |
| SCHEMBL1154981 | 0.75 | UGT2B7 (0.30) | — | |
| SCHEMBL29726016 | 0.75 | UGT2B7 (0.30) | — | |
| SCHEMBL14142960 | 0.74 | UGT2B7 (0.47) | — | |
| SCHEMBL14993455 | 0.74 | UGT2B7 (0.47) | — | |
| SCHEMBL4666688 | 0.74 | UGT2B7 (0.47) | — | |
| SCHEMBL30456023 | 0.73 | — | — | |
| SCHEMBL11219755 | 0.72 | UGT2B7 (0.32) | — | |
| SCHEMBL3662071 | 0.72 | UGT2B7 (0.32) | — | |
| SCHEMBL1363984 | 0.72 | UGT2B7 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222198-B2 | Perfuming nitriles | FIRMENICH SA (CH) | 2012-07-17 | — | — | US | disclosed |
| US-20100267607-A1 | PERFUMING NITRILES | FIRMENICH SA (CH) | 2010-10-21 | — | — | US | disclosed |
| EP-2134318-A1 | PERFUMING NITRILES | Firmenich S.A. (CH) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008117254-A1 | PERFUMING NITRILES | FIRMENICH SA (CH) | 2008-10-02 | — | — | WO | disclosed |