⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1767692 | 0.45 | — | — | |
| SCHEMBL3899388 | 0.44 | — | — | |
| SCHEMBL11780398 | 0.42 | — | — | |
| SCHEMBL1767793 | 0.41 | — | — | |
| Phosphine SCHEMBL3216975 | 0.39 | CASP1 (0.47) | — | |
| Phosphine SCHEMBL16515702 | 0.37 | CASP1 (0.44) | — | |
| SCHEMBL8465809 | 0.33 | CASP1 (0.50) | — | |
| Phosphine SCHEMBL7678878 | 0.33 | — | — | |
| SCHEMBL1300603 | 0.33 | — | — | |
| SCHEMBL11730161 | 0.32 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10351776-B2 | Triazine-intercalated metal phosphates, compositions, and methods | J.M. HUBER CORPORATION (US) | 2019-07-16 | — | — | US | disclosed |
| US-20170349835-A1 | Triazine-Intercalated Metal Phosphates, Compositions, and Methods | HUBER CORP J M (US) | 2017-12-07 | — | — | US | disclosed |