⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24639490 | 0.70 | — | — | |
| SCHEMBL24639486 | 0.70 | — | — | |
| SCHEMBL24639473 | 0.70 | — | — | |
| SCHEMBL35211222 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL35210775 | 0.59 | — | — | |
| SCHEMBL31491238 | 0.58 | — | — | |
| SCHEMBL31491211 | 0.58 | — | — | |
| SCHEMBL31323395 | 0.58 | — | — | |
| SCHEMBL35210601 | 0.58 | — | — | |
| SCHEMBL24789566 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5773239-A | ENZYME INHIBITORS FORMED BY MULTISTAGE REACTION FOR USE AS PRODRUGS | MOUNT SINAI HOSPITAL CORPORATION. (CA) | 1998-06-30 | — | — | US | disclosed |