⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3248930 | 1.00 | — | — | |
| SCHEMBL19942230 | 0.65 | CHRNB2 (0.32) | — | |
| SCHEMBL9717640 | 0.63 | — | — | |
| SCHEMBL19942232 | 0.62 | — | — | |
| SCHEMBL318228 | 0.59 | — | — | |
| SCHEMBL6064446 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL15992872 | 0.56 | ALDH1A1 (0.38) | — | |
| SCHEMBL15992870 | 0.56 | ALDH1A1 (0.38) | — | |
| SCHEMBL17819378 | 0.55 | — | — | |
| SCHEMBL4537886 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8674143-B2 | Synthesis of green ketone intermediate | DSM IP ASSETS, B.V. (NL) | 2014-03-18 | — | — | US | disclosed |
| US-20120283476-A1 | SYNTHESIS OF GREEN KETONE INTERMEDIATE | DSM IP ASSETS, B.V. (NL) | 2012-11-08 | — | — | US | disclosed |
| WO-2010043522-A1 | SYNTHESIS OF GREEN KETONE INTERMEDIATE | DSM IP ASSETS B.V. (NL) | 2010-04-22 | — | — | WO | disclosed |
| US-4289659-A | CYCLOHEXANE DERIVATIVES | FIRMENICH SA (CH) | 1981-09-15 | — | — | US | disclosed |
| US-4264467-A | Cyclic C6 compounds and their use in perfumes | FIRMENICH SA (CH) | 1981-04-28 | — | — | US | disclosed |
| US-4147672-A | Cyclic C6 ketones in perfumes | FIRMENICH SA (CH) | 1979-04-03 | — | — | US | disclosed |