⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12231740 | 0.82 | — | — | |
| SCHEMBL9908360 | 0.74 | POLB (0.31) | — | |
| SCHEMBL17070160 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL12271250 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL17483586 | 0.71 | SLC1A2 (0.30) | — | |
| SCHEMBL12141778 | 0.71 | SLC1A2 (0.30) | — | |
| SCHEMBL21553350 | 0.70 | POLB (0.32) | — | |
| SCHEMBL14521958 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL201674 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL12271132 | 0.68 | CYP3A4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10302566-B2 | Method for evaluating physical properties of polymer compositions | KYUSHU UNIVERSITY (JP) | 2019-05-28 | — | — | US | disclosed |