⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15908372 | 0.81 | CA2 (0.31) | — | |
| SCHEMBL12443139 | 0.81 | ANPEP (0.32) | — | |
| SCHEMBL19544686 | 0.78 | — | — | |
| SCHEMBL12270036 | 0.69 | — | — | |
| SCHEMBL20724971 | 0.67 | GABBR2 (0.30) | — | |
| SCHEMBL9226054 | 0.64 | — | — | |
| Iminobis(Methylphosphonic Acid) SCHEMBL14761386 | 0.63 | TYMS (0.43) | — | |
| SCHEMBL17930960 | 0.63 | PPARD (0.37) | — | |
| Methyl((Methylamino)Methyl)Phosphinic Acid SCHEMBL7018786 | 0.61 | — | — | |
| SCHEMBL15908373 | 0.60 | HTT (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10202720-B2 | Flame resistant textile | MILLIKEN & COMPANY (US) | 2019-02-12 | — | — | US | disclosed |