⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27871037 | 0.69 | — | — | |
| SCHEMBL9998931 | 0.65 | — | — | |
| SCHEMBL28038537 | 0.61 | NFKB1 (0.38) | — | |
| SCHEMBL15184464 | 0.58 | — | — | |
| SCHEMBL27527370 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL27794710 | 0.56 | NFKB1 (0.30) | — | |
| SCHEMBL28784724 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL27497635 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL4536617 | 0.54 | — | — | |
| SCHEMBL30355321 | 0.54 | — | — |
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-4426434-A | Electrophotographic photoreceptor and preparation thereof | NIPPON TELEGRAPH & TELEPHONE PUBLIC CORP. (JP) | 1984-01-17 | — | — | US | disclosed |