⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13898538 | 0.78 | — | — | |
| SCHEMBL14978793 | 0.78 | — | — | |
| SCHEMBL11825480 | 0.72 | — | — | |
| SCHEMBL768468 | 0.72 | — | — | |
| SCHEMBL6315529 | 0.67 | — | — | |
| SCHEMBL1250877 | 0.62 | — | — | |
| SCHEMBL7569133 | 0.62 | — | — | |
| SCHEMBL506597 | 0.62 | — | — | |
| SCHEMBL4854130 | 0.62 | — | — | |
| SCHEMBL8237467 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11644460-B2 | Identifying new therapeutic agents | Revolution Medicines, Inc. (US) | 2023-05-09 | — | — | US | disclosed |
| US-20120289471-A1 | NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-11-15 | — | — | US | disclosed |
| US-8173840-B2 | Compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-05-08 | — | — | US | disclosed |