⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2550339 | 0.84 | FFAR3 (0.33) | — | |
| SCHEMBL5210 | 0.67 | — | — | |
| Propane SCHEMBL7873677 | 0.65 | — | — | |
| SCHEMBL217230 | 0.65 | — | — | |
| SCHEMBL38139 | 0.63 | — | — | |
| SCHEMBL3401573 | 0.63 | — | — | |
| SCHEMBL269885 | 0.63 | — | — | |
| SCHEMBL3401569 | 0.63 | — | — | |
| Benzene SCHEMBL28290730 | 0.61 | FFAR3 (0.35) | — | |
| SCHEMBL95520 | 0.60 | — | — |
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-20130130985-A1 | OXYTOCIN PEPTIDE ANALOGUES | THE UNIVERSITY OF QUEENSLAND (AU) | 2013-05-23 | — | — | US | disclosed |
| WO-2011120071-A1 | OXYTOCIN PEPTIDE ANALOGUES | THE UNIVERSITY OF QUEENSLAND (AU) | 2011-10-06 | — | — | WO | disclosed |