⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1067519 | 0.79 | — | — | |
| SCHEMBL20824980 | 0.79 | — | — | |
| SCHEMBL20825136 | 0.74 | — | — | |
| SCHEMBL24892821 | 0.73 | TRPA1 (0.32) | — | |
| SCHEMBL21871828 | 0.73 | — | — | |
| SCHEMBL14730393 | 0.72 | — | — | |
| SCHEMBL3642051 | 0.70 | — | — | |
| SCHEMBL18033894 | 0.70 | — | — | |
| SCHEMBL1685600 | 0.70 | — | — | |
| SCHEMBL1685601 | 0.70 | — | — |
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-3248968-A1 | RESORCINOL DERIVATIVE AS HSP90 INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2017-11-29 | — | — | EP | disclosed |
| WO-2017025916-A1 | 5-(N-[6,5]-FUSED BICYCLIC ARYL TETRAHYDROISOQUINOLIN-6-YL) PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2017-02-16 | — | — | WO | disclosed |