⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28262782 | 0.97 | TSHR (0.37) | — | |
| SCHEMBL9188538 | 0.97 | — | — | |
| SCHEMBL3086752 | 0.97 | — | — | |
| SCHEMBL8389 | 0.97 | — | — | |
| SCHEMBL907639 | 0.97 | — | — | |
| SCHEMBL25255331 | 0.93 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL1577130 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3086623 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL232631 | 0.93 | — | — | |
| SCHEMBL29034425 | 0.93 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109476803-B | Amine compositions useful for making polyurethane foams | 赢创运营有限公司 | 2022-04-12 | — | — | CN | claimed |
| EP-1273604-B1 | Method for producing a rigid polyurethane foam | TOSOH CORP (JP) | 2007-06-13 | — | — | EP | disclosed |