⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL931228 | 0.77 | NPC1 (0.37) | — | |
| SCHEMBL14367889 | 0.69 | CYP11B1 (0.51) | — | |
| SCHEMBL25180846 | 0.66 | SIRT6 (0.36) | — | |
| SCHEMBL17309092 | 0.66 | — | — | |
| SCHEMBL931417 | 0.65 | NOTUM (0.36) | — | |
| SCHEMBL4424869 | 0.64 | CCNB2 (0.31) | — | |
| SCHEMBL18741273 | 0.59 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL31589778 | 0.59 | CASP3 (0.36) | — | |
| SCHEMBL31589403 | 0.59 | CASP3 (0.36) | — | |
| SCHEMBL933680 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005028452-A9 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LTD (GB) | 2005-07-21 | — | — | WO | disclosed |