⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16253656 | 0.80 | PTGS2 (0.38) | — | |
| SCHEMBL14999488 | 0.78 | — | — | |
| SCHEMBL16253609 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL14999490 | 0.72 | CYP1A2 (0.33) | — | |
| SCHEMBL16253515 | 0.69 | RARG (0.32) | — | |
| SCHEMBL16253661 | 0.69 | RXRA (0.41) | — | |
| SCHEMBL15002586 | 0.67 | PTGS2 (0.39) | — | |
| SCHEMBL16253612 | 0.66 | PTGS2 (0.38) | — | |
| SCHEMBL14999495 | 0.66 | — | — | |
| SCHEMBL15088353 | 0.65 | — | — |
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-9359474-B2 | Catalysts and methods for polymer synthesis | NOVOMER, INC. (US) | 2016-06-07 | — | — | US | disclosed |
| US-20140343246-A1 | CATALYSTS AND METHODS FOR POLYMER SYNTHESIS | SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) | 2014-11-20 | — | — | US | disclosed |