⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6654402 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL10015861 | 0.66 | KCNA4 (0.32) | — | |
| SCHEMBL19218137 | 0.63 | — | — | |
| SCHEMBL6652060 | 0.62 | — | — | |
| SCHEMBL6652054 | 0.62 | — | — | |
| SCHEMBL3437284 | 0.61 | — | — | |
| SCHEMBL16174299 | 0.59 | — | — | |
| SCHEMBL17482239 | 0.59 | — | — | |
| SCHEMBL12295821 | 0.59 | — | — | |
| SCHEMBL8299210 | 0.58 | EPHX1 (0.40) | — |
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-0994868-B1 | METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN | KAO CORP (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-6297390-B1 | AMIDATION OF METHYL LACTATE, PROTECTING FREE OH FUNCTION WITH ETHYLVINYLETHER, GRIGNARD REACTION TO PRODUCE THE CORRESPONDING UNSATURATED KETONE; REDUCTIVE REARRANGEMENT, USE AS A PERFUME. | COGNIS DEUTSCHLAND GMBH (DE) | 2001-10-02 | — | — | US | disclosed |
| EP-0994868-A1 | METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN | Cognis Deutschland GmbH (DE) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999002515-A1 | METHOD FOR PREPARING OPTICALLY ACTIVE 5-METHYL-2- (1-METHYL-BUTYL)-5-PROPYL-1,3-DIOXAN | COGNIS DEUTSCHLAND GMBH (DE) | 1999-01-21 | — | — | WO | disclosed |