⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2651303 | 1.00 | — | — | |
| SCHEMBL7526277 | 1.00 | — | — | |
| SCHEMBL2572653 | 0.97 | TOP1 (0.38) | — | |
| SCHEMBL2572652 | 0.97 | TOP1 (0.38) | — | |
| SCHEMBL7284959 | 0.85 | F7 (0.52) | — | |
| SCHEMBL17322184 | 0.85 | F7 (0.52) | — | |
| SCHEMBL11857550 | 0.83 | FAAH (0.55) | — | |
| SCHEMBL6641866 | 0.83 | FAAH (0.55) | — | |
| SCHEMBL12572575 | 0.83 | ALDH1A1 (0.47) | — | |
| SCHEMBL18868445 | 0.83 | ALDH1A1 (0.47) | — |
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-9458436-B2 | Method for producing polyunsaturated fatty acids in transgenic plants | BASF PLANT SCIENCE GMBH (DE) | 2016-10-04 | — | — | US | disclosed |
| US-20090222951-A1 | Method for producing polyunsaturated fatty acids in transgenic plants | BASF PLANT SCIENCE GMBH (DE) | 2009-09-03 | — | — | US | disclosed |