⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21450808 | 0.86 | TDP1 (0.35) | — | |
| SCHEMBL21498262 | 0.79 | TDP1 (0.35) | — | |
| SCHEMBL22246060 | 0.72 | — | — | |
| SCHEMBL8279795 | 0.70 | — | — | |
| SCHEMBL13971959 | 0.69 | — | — | |
| SCHEMBL24739 | 0.69 | — | — | |
| SCHEMBL24711720 | 0.67 | — | — | |
| SCHEMBL24378921 | 0.67 | TDP1 (0.32) | — | |
| SCHEMBL23280601 | 0.67 | — | — | |
| SCHEMBL24977981 | 0.67 | TDP1 (0.32) | — |
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-2220046-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | GILEAD SCIENCES INC (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-2235115-B1 | POLYMERIC HAIR DYES | BASF SE (DE) | 2013-10-16 | — | — | EP | disclosed |