⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10306544 | 1.00 | — | — | |
| SCHEMBL3950568 | 0.79 | — | — | |
| SCHEMBL6003642 | 0.75 | — | — | |
| SCHEMBL3629592 | 0.73 | CYP1A2 (0.36) | — | |
| SCHEMBL11974550 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL1226620 | 0.71 | — | — | |
| SCHEMBL14947871 | 0.71 | — | — | |
| SCHEMBL30132956 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL12607327 | 0.69 | — | — | |
| SCHEMBL31365895 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-H810-H | MORPHINE AGONIST | Wilkinson, Samuel (GB) | 1990-08-07 | — | — | US | claimed |
| US-H810-H | MORPHINE AGONIST | Wilkinson, Samuel (GB) | 1990-08-07 | — | — | US | disclosed |
| US-4254106-A | MORPHINE AGONISTS WITH ANALGESIC AND ANTIDIARRHEA ACTIVITY | BURROUGHS WELLCOME CO. (US) | 1981-03-03 | — | — | US | disclosed |