⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11495272 | 0.68 | NPSR1 (0.32) | — | |
| SCHEMBL4148209 | 0.67 | — | — | |
| SCHEMBL4150127 | 0.61 | — | — | |
| SCHEMBL10112072 | 0.57 | — | — | |
| SCHEMBL12992310 | 0.57 | TSHR (0.34) | — | |
| SCHEMBL12462284 | 0.54 | NOS3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3826143 | 0.54 | — | — | |
| SCHEMBL3041643 | 0.54 | — | — | |
| SCHEMBL28182121 | 0.54 | CFTR (0.37) | — | |
| SCHEMBL13523667 | 0.54 | TP53 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118373826-A | Method for synthesizing indolo 1, 4-diazaoctamembered heterocyclic compound | 常州大学 | 2024-07-23 | — | — | CN | claimed |
| CN-118373826-A | Method for synthesizing indolo 1, 4-diazaoctamembered heterocyclic compound | 常州大学 | 2024-07-23 | — | — | CN | disclosed |
| CN-118373826-A | Method for synthesizing indolo 1, 4-diazaoctamembered heterocyclic compound | 常州大学 | 2024-07-23 | — | — | CN | disclosed |