⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1537622 | 0.96 | — | — | |
| SCHEMBL28692802 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28528986 | 0.93 | — | — | |
| SCHEMBL4661237 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL11444816 | 0.69 | — | — | |
| SCHEMBL4400666 | 0.67 | — | — | |
| SCHEMBL8827888 | 0.65 | ADRB2 (0.41) | — | |
| SCHEMBL818291 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL108892 | 0.65 | — | — | |
| SCHEMBL202705 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8212082-B2 | Process for the isolation of dodecatrienal and its use as aroma substance | BASF SE (DE) | 2012-07-03 | — | — | US | disclosed |
| US-20100190869-A1 | PROCESS FOR THE ISOLATION OF DODECATRIENAL AND ITS USE AS AROMA SUBSTANCE | BASF SE (DE) | 2010-07-29 | — | — | US | disclosed |