⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3735184 | 0.76 | DUT (0.36) | — | |
| SCHEMBL5655318 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL17410495 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL5896401 | 0.71 | PTGER4 (0.36) | — | |
| SCHEMBL3953092 | 0.65 | — | — | |
| SCHEMBL3735188 | 0.63 | — | — | |
| SCHEMBL17431814 | 0.59 | DUT (0.34) | — | |
| SCHEMBL20356275 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL4061944 | 0.58 | DGAT1 (0.35) | — | |
| SCHEMBL11614983 | 0.58 | LMNA (0.46) | — |
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-3517112-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | Millennium Pharmaceuticals, Inc. (US) | 2019-07-31 | — | — | EP | disclosed |