⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18834819 | 0.69 | ADORA2B (0.36) | — | |
| SCHEMBL30861196 | 0.62 | CYP3A4 (0.48) | — | |
| SCHEMBL11241808 | 0.62 | GRIA1 (0.47) | — | |
| SCHEMBL31725530 | 0.61 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL10374777 | 0.59 | HTT (0.44) | — | |
| SCHEMBL15384256 | 0.58 | — | — | |
| SCHEMBL22119620 | 0.58 | GDA (0.33) | — | |
| SCHEMBL7976363 | 0.57 | HTT (0.30) | — | |
| SCHEMBL9674402 | 0.57 | HTT (0.55) | — | |
| SCHEMBL7976361 | 0.56 | — | — |
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-10723741-B1 | DNA polymerase IIIC inhibitors and use thereof | ACURX PHARMACEUTICALS, LLC (US) | 2020-07-28 | — | — | US | disclosed |