⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4728219 | 0.79 | — | — | |
| SCHEMBL10946626 | 0.75 | CYP2D6 (0.32) | — | |
| SCHEMBL16933912 | 0.75 | CYP1A2 (0.41) | — | |
| SCHEMBL2777672 | 0.73 | MEN1 (0.40) | — | |
| SCHEMBL16933938 | 0.71 | CYP1A2 (0.48) | — | |
| SCHEMBL9333079 | 0.71 | CYP2D6 (0.30) | — | |
| SCHEMBL11089650 | 0.71 | CYP2D6 (0.33) | — | |
| SCHEMBL16933774 | 0.70 | CYP1A2 (0.46) | — | |
| SCHEMBL16934235 | 0.69 | CYP1A2 (0.39) | — | |
| SCHEMBL16963862 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0258666-A2 | Microbial enzymatic transformations of chrysanthemol, lavandulol and analogous alcohols to acids | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1988-03-09 | — | — | EP | disclosed |