⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8766608 | 0.79 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL8766604 | 0.79 | DPP4 (0.43) | — | |
| SCHEMBL13689281 | 0.78 | — | — | |
| SCHEMBL15801450 | 0.72 | DPP4 (0.38) | — | |
| SCHEMBL12779201 | 0.70 | — | — | |
| SCHEMBL2246463 | 0.68 | — | — | |
| SCHEMBL2246459 | 0.68 | — | — | |
| SCHEMBL12955470 | 0.68 | — | — | |
| SCHEMBL22824884 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL15792147 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007100374-A9 | SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF | TUFTS COLLEGE (US) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007100374-A2 | SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF | TRUSTEES OF TUFTS COLLEGE (US) | 2007-09-07 | — | — | WO | disclosed |