⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28545 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL901773 | 0.85 | — | — | |
| Water SCHEMBL5973255 | 0.85 | — | — | |
| Methoxymethane SCHEMBL28147564 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL1393428 | 0.79 | THRB (0.33) | — | |
| Dimethylamine SCHEMBL28541414 | 0.74 | TSHR (0.31) | — | |
| Amylene Hydrate SCHEMBL11774309 | 0.74 | — | — | |
| SCHEMBL18567 | 0.72 | — | — | |
| Water SCHEMBL3315833 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1227644 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996006878-A1 | DERIVATIZED POLYESTER COMPOUNDS AND USES THEREOF | INOLEX INVESTMENT CORPORATION (US) | 1996-03-07 | — | — | WO | disclosed |