⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021349 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL27896622 | 0.77 | GRIK1 (0.31) | — | |
| SCHEMBL29065819 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL2239651 | 0.76 | LMNA (0.36) | — | |
| SCHEMBL10532630 | 0.72 | FOLH1 (0.36) | — | |
| SCHEMBL27461385 | 0.71 | — | — | |
| SCHEMBL27654629 | 0.71 | — | — | |
| SCHEMBL15535194 | 0.71 | — | — | |
| SCHEMBL15348259 | 0.70 | — | — | |
| SCHEMBL28447091 | 0.70 | KMT2A (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8041406-A | — | — | None | — | — | JP | disclosed |
| CN-117683458-A | Insulating coating material for self-closing line of electrified railway | 北京超智控信科技有限公司 | 2024-03-12 | — | — | CN | disclosed |
| JP-H0841406-A | INK COMPOSITION FOR OILY BALL POINT PENT | TOMBOW PENCIL CO LTD | 1996-02-13 | — | — | JP | disclosed |