⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6923990 | 0.89 | OPRD1 (0.54) | — | |
| SCHEMBL7971673 | 0.87 | — | — | |
| SCHEMBL7973680 | 0.86 | — | — | |
| SCHEMBL6925727 | 0.84 | — | — | |
| SCHEMBL6652740 | 0.82 | OPRD1 (0.51) | — | |
| SCHEMBL6652737 | 0.82 | OPRD1 (0.51) | — | |
| SCHEMBL7971679 | 0.76 | — | — | |
| SCHEMBL6654109 | 0.74 | USP2 (0.46) | — | |
| SCHEMBL7957975 | 0.74 | OPRD1 (0.51) | — | |
| SCHEMBL12013207 | 0.74 | CYP1A2 (0.61) | — |
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-6514975-B1 | Tetrazoles as selective agonists for the delta opioid receptor | PFIZER INC | 2003-02-04 | — | — | US | disclosed |