⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210531 | 0.97 | — | — | |
| SCHEMBL28774460 | 0.84 | APP (0.44) | — | |
| SCHEMBL3312499 | 0.82 | APP (0.42) | — | |
| SCHEMBL9322595 | 0.81 | — | — | |
| SCHEMBL9323457 | 0.80 | APP (0.41) | — | |
| SCHEMBL3309834 | 0.79 | APP (0.44) | — | |
| SCHEMBL3310664 | 0.77 | APP (0.42) | — | |
| SCHEMBL31390241 | 0.76 | — | — | |
| SCHEMBL142227 | 0.75 | APP (0.41) | — | |
| SCHEMBL11240541 | 0.74 | NLRP3 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5973106-A | Acrylonitrile polymer compositions, method for producing the compositions, and method for producing shaped articles from the compositions | JAPAN EXLAN COMPANY LIMITED (JP) | 1999-10-26 | — | — | US | disclosed |
| US-4079000-A | LIQUID CHROMATOGRAPHY | JAPAN EXLAN COMPANY LIMITED (JA) | 1978-03-14 | — | — | US | disclosed |