⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9737630 | 1.00 | — | — | |
| SCHEMBL4583178 | 0.79 | ALOX15 (0.31) | — | |
| SCHEMBL14446959 | 0.79 | — | — | |
| SCHEMBL1594722 | 0.73 | NPC1 (0.31) | — | |
| SCHEMBL9209961 | 0.71 | — | — | |
| SCHEMBL9209967 | 0.71 | — | — | |
| SCHEMBL10991826 | 0.71 | — | — | |
| SCHEMBL10991835 | 0.71 | — | — | |
| SCHEMBL14458051 | 0.69 | — | — | |
| SCHEMBL7574963 | 0.69 | — | — |
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-7271296-B2 | Method for the production of phytofluene | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-18 | — | — | US | disclosed |
| US-7271296-B2 | Method for the production of phytofluene | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-18 | — | — | US | disclosed |
| US-20070004925-A1 | Method for the production of phytofluene | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-04 | — | — | US | disclosed |
| US-20070004925-A1 | Method for the production of phytofluene | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-04 | — | — | US | disclosed |
| US-5162552-A | PREPARATION OF 4-ACETALS OF BUTENE-1,4-DIAL AND NOVEL ACETALS OF BUTENE-1,4-DIAL | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |