⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1401089 | 0.72 | — | — | |
| SCHEMBL1401024 | 0.68 | — | — | |
| SCHEMBL1401036 | 0.58 | — | — | |
| SCHEMBL7717675 | 0.56 | — | — | |
| SCHEMBL6602480 | 0.53 | — | — | |
| SCHEMBL559037 | 0.50 | — | — | |
| SCHEMBL4817853 | 0.50 | — | — | |
| SCHEMBL6003429 | 0.49 | AXL (0.30) | — | |
| SCHEMBL6003621 | 0.45 | NQO1 (0.30) | — | |
| SCHEMBL6003760 | 0.45 | REV1 (0.30) | — |
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-4482490-A | N-(p-nitrophenyl)-N'-(4-amino-2-fluorotriazineamino phenyl)-1,4-disazophenylene dyes | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1984-11-13 | — | — | US | disclosed |
| US-4276047-A | POLYESTERS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1981-06-30 | — | — | US | disclosed |