⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17508424 | 0.89 | — | — | |
| SCHEMBL17508425 | 0.81 | — | — | |
| SCHEMBL8154660 | 0.76 | ALOX15 (0.39) | — | |
| Terpinolene SCHEMBL901327 | 0.65 | LMNA (0.33) | — | |
| Terpinolene SCHEMBL61306 | 0.65 | LMNA (0.33) | — | |
| Terpinolene SCHEMBL8913240 | 0.63 | LMNA (0.32) | — | |
| Terpinolene SCHEMBL670219 | 0.63 | LMNA (0.32) | — | |
| Perillyl Alcohol SCHEMBL17524289 | 0.62 | ALDH1A1 (0.66) | — | |
| SCHEMBL309633 | 0.59 | PTPN1 (0.41) | — | |
| SCHEMBL17627690 | 0.59 | PTPN1 (0.41) | — |
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-20160039731-A1 | Pharmaceutical Compositions Comprising Deuterium-Enriched Perillyl Alcohol, Iso-Perillyl Alcohol and Derivatives Thereof | NEONC TECHNOLOGIES INC | 2016-02-11 | — | — | US | disclosed |