⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3478104 | 0.98 | — | — | |
| SCHEMBL4967622 | 0.87 | TSHR (0.37) | — | |
| SCHEMBL134919 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL6468155 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL9301177 | 0.82 | GAA (0.32) | — | |
| Ethylene Glycol SCHEMBL28396571 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL27641478 | 0.79 | ODC1 (0.35) | — | |
| SCHEMBL669658 | 0.79 | — | — | |
| SCHEMBL10308656 | 0.73 | — | — | |
| SCHEMBL13909030 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110305275-B | Preparation method of aminomethyl phosphino-urea-formaldehyde oligomer steel bar rust inhibitor | 金陵科技学院 | 2021-11-16 | — | — | CN | claimed |
| CN-110305275-B | Preparation method of aminomethyl phosphino-urea-formaldehyde oligomer steel bar rust inhibitor | 金陵科技学院 | 2021-11-16 | — | — | CN | disclosed |
| CN-110305275-B | Preparation method of aminomethyl phosphino-urea-formaldehyde oligomer steel bar rust inhibitor | 金陵科技学院 | 2021-11-16 | — | — | CN | disclosed |