⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6995987 | 0.81 | — | — | |
| SCHEMBL17244 | 0.81 | — | — | |
| SCHEMBL14876768 | 0.81 | — | — | |
| SCHEMBL3637734 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL122329 | 0.78 | — | — | |
| SCHEMBL5899334 | 0.78 | — | — | |
| SCHEMBL28825030 | 0.78 | — | — | |
| Fluoride SCHEMBL923328 | 0.78 | — | — | |
| Bromide SCHEMBL10701347 | 0.78 | — | — | |
| SCHEMBL1372244 | 0.78 | — | — |
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-2952503-B1 | CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2019-10-23 | — | — | EP | disclosed |
| EP-2952503-A1 | HIV REPLICATION INHIBITOR | Shionogi & Co., Ltd. (JP) | 2015-12-09 | — | — | EP | disclosed |