⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3790493 | 0.69 | — | — | |
| SCHEMBL7771107 | 0.69 | — | — | |
| SCHEMBL7259074 | 0.69 | — | — | |
| SCHEMBL2883576 | 0.69 | — | — | |
| SCHEMBL45115 | 0.69 | — | — | |
| SCHEMBL6050127 | 0.67 | — | — | |
| SCHEMBL22553 | 0.67 | — | — | |
| SCHEMBL15407577 | 0.67 | — | — | |
| SCHEMBL1801328 | 0.67 | ADRA2A (0.42) | — | |
| SCHEMBL23851 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110072862-B | Bicyclic nitrogen-containing heterocyclic derivative and pharmaceutical composition containing the same | 盐野义制药株式会社 | 2022-05-13 | — | — | CN | disclosed |
| CN-107709299-B | 6-membered heterocyclic derivative and pharmaceutical composition containing the same | 盐野义制药株式会社 | 2021-07-16 | — | — | CN | disclosed |
| US-20050136180-A1 | Method of coating a substrate with a fluoropolymer | 3M INNOVATIVE PROPERTIES COMPANY | 2005-06-23 | — | — | US | disclosed |
| US-4324722-A | Water-soluble substituted aminocarbonyl monoazo dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-13 | — | — | US | disclosed |