⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17294904 | 1.00 | — | — | |
| SCHEMBL680704 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL20241173 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2920993 | 0.86 | — | — | |
| SCHEMBL16379297 | 0.85 | — | — | |
| SCHEMBL16379295 | 0.85 | — | — | |
| SCHEMBL21343413 | 0.85 | — | — | |
| SCHEMBL19766606 | 0.85 | — | — | |
| SCHEMBL24789582 | 0.84 | DPP4 (0.32) | — | |
| SCHEMBL24857258 | 0.84 | DPP4 (0.33) | — |
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-20170183306-A1 | CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION | UNIVERSITE PARIS DECARTES (FR) | 2017-06-29 | — | — | US | disclosed |
| US-20170183306-A1 | CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION | UNIVERSITE PARIS DECARTES (FR) | 2017-06-29 | — | — | US | disclosed |
| WO-2015181387-A1 | CYCLIC COMPOUNDS HAVING A 1,3 DIAMINO-FUNCTIONALITY FOR USE IN THE TREATMENT OF HIV INFECTION | UNIVERSITE PARIS DESCARTES (FR) | 2015-12-03 | — | — | WO | disclosed |