⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6653260 | 0.91 | OPRD1 (0.42) | — | |
| SCHEMBL6659217 | 0.91 | — | — | |
| SCHEMBL6657055 | 0.88 | OPRD1 (0.45) | — | |
| SCHEMBL8028402 | 0.84 | OPRD1 (0.38) | — | |
| SCHEMBL6652254 | 0.84 | OPRD1 (0.38) | — | |
| SCHEMBL6653135 | 0.83 | CYP1A2 (0.45) | — | |
| SCHEMBL8030090 | 0.83 | CYP1A2 (0.45) | — | |
| SCHEMBL8081871 | 0.81 | OPRD1 (0.58) | — | |
| SCHEMBL6932686 | 0.81 | OPRD1 (0.58) | — | |
| SCHEMBL6654469 | 0.80 | CYP1A2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0983251-B1 | ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF | PFIZER LTD (GB) | 2004-06-23 | — | — | EP | disclosed |
| US-6514975-B1 | Tetrazoles as selective agonists for the delta opioid receptor | PFIZER INC | 2003-02-04 | — | — | US | disclosed |