⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL563089 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28190406 | 0.94 | MGAM (0.65) | — | |
| SCHEMBL303032 | 0.82 | — | — | |
| SCHEMBL14753880 | 0.80 | MGAM (0.48) | — | |
| SCHEMBL27677215 | 0.79 | MGAM (1.00) | — | |
| SCHEMBL1162 | 0.79 | — | — | |
| SCHEMBL895897 | 0.78 | — | — | |
| SCHEMBL11019941 | 0.77 | — | — | |
| SCHEMBL303851 | 0.77 | — | — | |
| SCHEMBL1436463 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105747292-A | Soft polyurethane foam for brassiere cup having air permeability, washability and delayed discoloration, and preparation method therefor | 株式会社世林TTC | 2016-07-13 | — | — | CN | disclosed |