⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL108664 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL464573 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL15598284 | 0.81 | TSHR (0.53) | — | |
| SCHEMBL2153661 | 0.75 | — | — | |
| SCHEMBL13222662 | 0.75 | — | — | |
| SCHEMBL2743778 | 0.75 | — | — | |
| SCHEMBL16118370 | 0.75 | — | — | |
| SCHEMBL16020373 | 0.75 | — | — | |
| SCHEMBL110244 | 0.75 | — | — | |
| SCHEMBL23028481 | 0.74 | TSHR (0.45) | — |
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-6288297-B1 | REACTION OF ALDEHYDE WITH TRICHLOROACETIC ACID OR TRIBROMOACETIC ACID IN THE PRESENCE OF BASE CATALYST TO FORM HALOGENATED ALCOHOL, ETHERIFICATION IN THE PRESENCE OF COUPLING CATALYST AND ACID SCAVENGER | DUPONT PHARMACEUTICALS COMPANY | 2001-09-11 | — | — | US | disclosed |