⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3019786 | 1.00 | — | — | |
| SCHEMBL3876337 | 0.82 | ALOX15 (0.32) | — | |
| SCHEMBL3012776 | 0.77 | ALOX15 (0.31) | — | |
| SCHEMBL3013305 | 0.72 | ALOX15 (0.32) | — | |
| SCHEMBL19899235 | 0.72 | — | — | |
| SCHEMBL3023523 | 0.71 | — | — | |
| SCHEMBL6871674 | 0.70 | — | — | |
| SCHEMBL3017263 | 0.70 | — | — | |
| SCHEMBL3024139 | 0.69 | — | — | |
| SCHEMBL3012536 | 0.68 | OPRM1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371262-B2 | One-step intermolecular electrocyclic rearrangement process | GIVAUDAN S.A. (CH) | 2016-06-21 | — | — | US | disclosed |
| US-9371262-B2 | One-step intermolecular electrocyclic rearrangement process | GIVAUDAN S.A. (CH) | 2016-06-21 | — | — | US | disclosed |
| US-20140288326-A1 | NOVEL PROCESS | GIVAUDAN S.A. (CH) | 2014-09-25 | — | — | US | disclosed |
| US-20140288326-A1 | NOVEL PROCESS | GIVAUDAN S.A. (CH) | 2014-09-25 | — | — | US | disclosed |
| WO-2013060011-A1 | NOVEL PROCESS | GIVAUDAN SA (CH) | 2013-05-02 | — | — | WO | disclosed |