⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11648715 | 0.77 | — | — | |
| SCHEMBL468003 | 0.77 | — | — | |
| SCHEMBL4940686 | 0.77 | SLC6A4 (0.38) | — | |
| SCHEMBL8416121 | 0.77 | SLC6A4 (0.38) | — | |
| SCHEMBL13267553 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9255979 | 0.74 | — | — | |
| SCHEMBL5680220 | 0.74 | — | — | |
| Bromide SCHEMBL28594415 | 0.74 | — | — | |
| SCHEMBL17664711 | 0.74 | SLC6A4 (0.34) | — | |
| SCHEMBL13662057 | 0.74 | SLC6A4 (0.34) | — |
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-110945036-A | Allylmethylallylamine-based (co) polymer, process for producing the same, and use thereof | 日东纺绩株式会社 | 2020-03-31 | — | — | CN | disclosed |
| US-4179572-A | CHEMICAL INTERMEDIATES | CHON CORPORATION (US) | 1979-12-18 | — | — | US | disclosed |
| US-4065496-A | ACYLATION OF CONJUGATED AZOMETHINE | CHON CORPORATION (US) | 1977-12-27 | — | — | US | disclosed |