⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2351525 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL240790 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL23452070 | 0.69 | — | — | |
| SCHEMBL19053 | 0.68 | — | — | |
| SCHEMBL5170759 | 0.67 | — | — | |
| SCHEMBL5060469 | 0.67 | — | — | |
| SCHEMBL10597345 | 0.67 | — | — | |
| SCHEMBL23451625 | 0.65 | — | — | |
| SCHEMBL23451729 | 0.64 | — | — | |
| SCHEMBL22440692 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009093013-A1 | FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS | UCB PHARMA S.A. (BE) | 2009-07-30 | — | — | WO | disclosed |
| WO-2001012707-A1 | METHODS FOR IMPROVING THE INSULATING PROPERTIES OF CLOSED CELLED RIGID POLYURETHANE FOAMS | HUNSTMAN INTERNATIONAL LLC (US) | 2001-02-22 | — | — | WO | disclosed |
| EP-0025846-B1 | IMPROVED PROCESS FOR THE PREPARATION OF VINYLCYCLOPROPANE DERIVATIVES | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1984-03-07 | — | — | EP | disclosed |