⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL437702 | 0.79 | — | — | |
| SCHEMBL25841 | 0.75 | — | — | |
| SCHEMBL16924647 | 0.75 | NFKB1 (0.38) | — | |
| SCHEMBL20681406 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL10409198 | 0.73 | MEN1 (0.42) | — | |
| Bromide SCHEMBL1681549 | 0.73 | — | — | |
| SCHEMBL20975544 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22471677 | 0.73 | NFKB1 (0.36) | — | |
| Fluoride SCHEMBL1477387 | 0.73 | NFKB1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL3504161 | 0.73 | NFKB1 (0.36) | — |
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-4747953-A | Composite membranes based on interpenetrating polymer networks | ALLIED CORPORATION (US) | 1988-05-31 | — | — | US | disclosed |