⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15002587 | 0.89 | — | — | |
| SCHEMBL17072134 | 0.82 | CNR2 (0.33) | — | |
| SCHEMBL16253655 | 0.78 | PTGS2 (0.42) | — | |
| SCHEMBL17072148 | 0.78 | — | — | |
| SCHEMBL15002585 | 0.76 | — | — | |
| SCHEMBL17072152 | 0.76 | DHFR (0.40) | — | |
| SCHEMBL17072135 | 0.73 | PTGS2 (0.32) | — | |
| SCHEMBL17072151 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL16253657 | 0.72 | PTGS2 (0.37) | — | |
| SCHEMBL18556300 | 0.72 | RARG (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-9505878-B2 | Catalysts and methods for polymer synthesis | NOVOMER, INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150252145-A1 | CATALYSTS AND METHODS FOR POLYMER SYNTHESIS | SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) | 2015-09-10 | — | — | US | disclosed |