⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3381759 | 0.87 | — | — | |
| SCHEMBL10609023 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL10609028 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL10609026 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL9176709 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL10578855 | 0.81 | ALDH1A1 (0.52) | — | |
| Hypochlorous Acid SCHEMBL6139372 | 0.78 | TDP1 (0.45) | — | |
| SCHEMBL38661702 | 0.78 | ALDH1A1 (0.48) | — | |
| SCHEMBL11582324 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL494133 | 0.76 | ALDH1A1 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1556373-A1 | CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | Pfizer Products Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004035566-A1 | CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | PFIZER PRODUCTS INC. (US) | 2004-04-29 | — | — | WO | disclosed |
| US-20040077650-A1 | Cannabinoid receptor ligands and uses thereof | PFIZER INC. | 2004-04-22 | — | — | US | disclosed |
| US-4593115-A | REACTING ALDEHYDE WITH ACYL CHLORIDE AND SODIUM IODIDE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1986-06-03 | — | — | US | disclosed |
| EP-0143601-A2 | Method for producing 1-iodoalkyl acylates | Takeda Chemical Industries, Ltd. (JP) | 1985-06-05 | — | — | EP | disclosed |