⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8230322 | 1.00 | — | — | |
| SCHEMBL16255774 | 0.74 | — | — | |
| SCHEMBL23346909 | 0.70 | — | — | |
| SCHEMBL21698264 | 0.70 | — | — | |
| SCHEMBL11319470 | 0.67 | — | — | |
| SCHEMBL14196575 | 0.65 | — | — | |
| SCHEMBL13953131 | 0.64 | — | — | |
| SCHEMBL16501641 | 0.63 | — | — | |
| SCHEMBL19708853 | 0.63 | — | — | |
| SCHEMBL10161377 | 0.62 | KMT2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1781661-B1 | VASOPRESSIN V1A ANTAGONISTS | VANTIA LTD (GB) | 2017-06-07 | — | — | EP | disclosed |