⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7415137 | 0.81 | — | — | |
| SCHEMBL6062658 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7423592 | 0.70 | KDM4E (0.33) | — | |
| SCHEMBL6061719 | 0.70 | — | — | |
| SCHEMBL7417580 | 0.65 | DPP4 (0.30) | — | |
| SCHEMBL7412962 | 0.63 | — | — | |
| SCHEMBL16280996 | 0.62 | KDM4E (0.42) | — | |
| Hydrochloric Acid SCHEMBL7418293 | 0.61 | DPP4 (0.35) | — | |
| SCHEMBL7021679 | 0.61 | — | — | |
| SCHEMBL6063088 | 0.61 | — | — |
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-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |