⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1288249 | 0.70 | — | — | |
| SCHEMBL2635437 | 0.66 | — | — | |
| SCHEMBL5863474 | 0.60 | — | — | |
| SCHEMBL13732952 | 0.60 | — | — | |
| Calcium Chloride SCHEMBL29089243 | 0.46 | — | — | |
| Nitric Acid SCHEMBL28233455 | 0.44 | — | — | |
| SCHEMBL50075 | 0.44 | MEN1 (0.75) | — | |
| SCHEMBL82597 | 0.44 | MEN1 (0.75) | — | |
| SCHEMBL5828494 | 0.44 | MEN1 (0.75) | — | |
| SCHEMBL28673519 | 0.44 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025510-A | DYES FOR POLYESTERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-05-24 | — | — | US | disclosed |