⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1450693 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL8650102 | 0.74 | — | — | |
| SCHEMBL30420102 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL8651465 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL8651540 | 0.72 | — | — | |
| SCHEMBL1462736 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL6784597 | 0.71 | — | — | |
| SCHEMBL21500045 | 0.71 | — | — | |
| SCHEMBL3977096 | 0.71 | — | — | |
| SCHEMBL9745532 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0016505-B1 | PROCESS FOR THE PREPARATION OF DIHALOVINYL COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-03-23 | — | — | EP | disclosed |