⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20780363 | 0.77 | — | — | |
| SCHEMBL20219134 | 0.74 | — | — | |
| SCHEMBL20219239 | 0.66 | HTR7 (0.39) | — | |
| SCHEMBL20219233 | 0.63 | CDC25B (0.34) | — | |
| SCHEMBL20780378 | 0.63 | CDC25B (0.31) | — | |
| SCHEMBL20219163 | 0.62 | CYP19A1 (0.37) | — | |
| SCHEMBL17559540 | 0.62 | HTR6 (0.49) | — | |
| SCHEMBL20219242 | 0.61 | DRD2 (0.33) | — | |
| SCHEMBL20219164 | 0.61 | HTR6 (0.35) | — | |
| SCHEMBL20219162 | 0.60 | PDK2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019039839-A9 | METHOD FOR EVALUATING INJECTION PHYSICAL PROPERTY OF PLASTIC RESIN, AND POLYETHYLENE RESIN SUITABLE FOR INJECTION MOLDING | 주식회사 엘지화학 | 2019-07-25 | — | — | WO | disclosed |
| WO-2019039839-A2 | METHOD FOR EVALUATING INJECTION PHYSICAL PROPERTY OF PLASTIC RESIN, AND POLYETHYLENE RESIN SUITABLE FOR INJECTION MOLDING | 주식회사 엘지화학 | 2019-02-28 | — | — | WO | disclosed |