⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL28716865 | 0.88 | — | — | |
| SCHEMBL54993 | 0.88 | — | — | |
| SCHEMBL25947230 | 0.88 | — | — | |
| SCHEMBL18040900 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL23532614 | 0.85 | — | — | |
| Fluoride SCHEMBL9160421 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL18632678 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1194921 | 0.85 | — | — | |
| Bicarbonate SCHEMBL9617901 | 0.81 | SLC1A3 (0.38) | — | |
| Alcohol SCHEMBL22581582 | 0.80 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3545015-A1 | A METHOD FOR PRODUCING AN OPEN CELL RIGID POLYURETHANE FOAM | Covestro Deutschland AG (DE) | 2019-10-02 | — | — | EP | disclosed |
| EP-3545016-A1 | A METHOD FOR PRODUCING AN OPEN CELL RIGID POLYURETHANE FOAM | Covestro Deutschland AG (DE) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018096102-A1 | A METHOD FOR PRODUCING AN OPEN CELL RIGID POLYURETHANE FOAM | COVESTRO DEUTSCHLAND AG (DE) | 2018-05-31 | — | — | WO | disclosed |
| WO-2018096101-A1 | A METHOD FOR PRODUCING AN OPEN CELL RIGID POLYURETHANE FOAM | COVESTRO DEUTSCHLAND AG (DE) | 2018-05-31 | — | — | WO | disclosed |