⚠ 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 | |
|---|---|---|---|---|
| Tetraxetan SCHEMBL2635294 | 0.60 | HSD17B10 (0.64) | — | |
| SCHEMBL15386918 | 0.60 | — | — | |
| SCHEMBL16143254 | 0.60 | ALDH1A1 (0.42) | — | |
| Tetraxetan SCHEMBL18018 | 0.60 | HSD17B10 (0.64) | — | |
| SCHEMBL173508 | 0.60 | HSD17B10 (0.64) | — | |
| SCHEMBL10881786 | 0.60 | HSD17B10 (0.50) | — | |
| SCHEMBL16143324 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL6848102 | 0.60 | HSD17B10 (0.64) | — | |
| SCHEMBL16143253 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL321989 | 0.60 | HSD17B10 (0.64) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |