⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL309593 | 0.76 | MAP3K14 (0.35) | — | |
| SCHEMBL2128127 | 0.74 | CRBN (0.35) | — | |
| SCHEMBL11194050 | 0.72 | MAP3K14 (0.32) | — | |
| Acrylamide SCHEMBL7515363 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL26689388 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL18015890 | 0.69 | MAP3K14 (0.38) | — | |
| SCHEMBL321754 | 0.69 | — | — | |
| SCHEMBL7264550 | 0.68 | MAP3K14 (0.40) | — | |
| SCHEMBL3949247 | 0.68 | MAP3K14 (0.40) | — | |
| SCHEMBL321074 | 0.68 | — | — |
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-6641735-B1 | Separatory material with the use of stimulus-responsive polymer and separation method by using the separatory material | JAPAN CHEMICAL INNOVATION INSTITUTE | 2003-11-04 | — | — | US | disclosed |