⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9622532 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL128446 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL10835285 | 0.77 | — | — | |
| SCHEMBL693664 | 0.74 | MEN1 (0.37) | — | |
| SCHEMBL11077033 | 0.74 | — | — | |
| SCHEMBL3377804 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL10699464 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL11637039 | 0.72 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL27682567 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL5148350 | 0.70 | ALDH1A1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1633733-A4 | CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF | UNIV TENNESSEE RES CORP (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1633733-A1 | CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF | THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004113320-A1 | CANNABINOID DERIVATIVES, METHODS OF MAKING, AND USE THEREOF | THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2004-12-29 | — | — | WO | disclosed |