⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11715904 | 0.92 | CNR2 (0.45) | — | |
| SCHEMBL11627150 | 0.83 | CNR2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL11720807 | 0.79 | CNR2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11714544 | 0.77 | CNR2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11356343 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11545344 | 0.75 | — | — | |
| SCHEMBL11630512 | 0.75 | CNR2 (0.48) | — | |
| SCHEMBL11327082 | 0.74 | — | — | |
| SCHEMBL11717962 | 0.74 | CNR2 (0.64) | — | |
| SCHEMBL11716511 | 0.73 | CNR2 (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4081449-A | ANALGESICS, ANTICONVULSANTS | ABBOTT LABORATORIES (US) | 1978-03-28 | — | — | US | disclosed |
| US-4025630-A | Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication | ABBOTT LABORATORIES (US) | 1977-05-24 | — | — | US | disclosed |