⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL539517 | 0.79 | GAA (0.50) | — | |
| SCHEMBL7064589 | 0.79 | GAA (0.50) | — | |
| SCHEMBL28317478 | 0.77 | — | — | |
| SCHEMBL5232150 | 0.77 | — | — | |
| SCHEMBL27766651 | 0.77 | — | — | |
| SCHEMBL20915122 | 0.77 | GAA (0.48) | — | |
| SCHEMBL608445 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10774518 | 0.75 | — | — | |
| SCHEMBL136487 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL14877200 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004205390-A | METHOD FOR SENSITIVELY DETERMINING QUANTITY OF END ISOCYANATE GROUP IN SYNTHETIC RESIN | SUMITOMO METAL MINING CO LTD | 2004-07-22 | — | — | JP | disclosed |
| US-5954966-A | SOLUTION CAST PERVAPORATION MEMBRANE COMPRISING HYDROPHOBIC SURFACE MODIFYING MACROMOLECULE (SMM), HYDROPHILIC BASE POLYMER MISCIBLE WITH MACROMOLECULE, AND HYDROPHILIC PORE-FORMING POLYMER MISCIBLE WITH BASE POLYMER | UNIVERSITY OF OTTAWA (CA) | 1999-09-21 | — | — | US | disclosed |