⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301151 | 0.81 | — | — | |
| SCHEMBL11519728 | 0.67 | — | — | |
| SCHEMBL12501845 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL1074335 | 0.65 | — | — | |
| SCHEMBL27650086 | 0.62 | — | — | |
| SCHEMBL1658869 | 0.62 | — | — | |
| SCHEMBL15018721 | 0.60 | EBP (0.31) | — | |
| SCHEMBL31290359 | 0.59 | HSD17B10 (0.31) | — | |
| SCHEMBL7598487 | 0.59 | — | — | |
| SCHEMBL17267363 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007009958-A1 | TERPENE SYNTHASES | MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2007-01-25 | — | — | WO | disclosed |