⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25355050 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL18776094 | 0.73 | — | — | |
| SCHEMBL10893149 | 0.73 | TSHR (0.35) | — | |
| Bromide SCHEMBL8994504 | 0.71 | — | — | |
| SCHEMBL10343035 | 0.69 | — | — | |
| SCHEMBL23228335 | 0.69 | — | — | |
| SCHEMBL4221722 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL155400 | 0.65 | — | — | |
| SCHEMBL1725 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL29027365 | 0.65 | TSHR (0.40) | — |
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-104640906-B | High efficiency wet strength resins from novel crosslinkers | 佐治亚-太平洋化工品有限公司 | 2016-11-23 | — | — | CN | disclosed |