⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1830024 | 0.92 | — | — | |
| SCHEMBL441202 | 0.80 | — | — | |
| SCHEMBL180297 | 0.72 | — | — | |
| SCHEMBL3670577 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL2504560 | 0.70 | — | — | |
| SCHEMBL285563 | 0.70 | — | — | |
| SCHEMBL2505725 | 0.70 | — | — | |
| SCHEMBL12796574 | 0.69 | — | — | |
| Morpholine SCHEMBL10437036 | 0.69 | MEN1 (0.48) | — | |
| SCHEMBL29452717 | 0.68 | — | — |
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 4 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 |
| US-20150361093-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2015-12-17 | — | — | US | disclosed |
| US-20150361093-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2015-12-17 | — | — | US | disclosed |
| EP-2952503-A1 | HIV REPLICATION INHIBITOR | Shionogi & Co., Ltd. (JP) | 2015-12-09 | — | — | EP | disclosed |