⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17367353 | 0.80 | PRKD3 (0.37) | — | |
| SCHEMBL17367341 | 0.77 | TTBK1 (0.39) | — | |
| SCHEMBL3388862 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL17367351 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL1272493 | 0.68 | DRD4 (0.30) | — | |
| SCHEMBL4770399 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL17367361 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL17364305 | 0.65 | — | — | |
| SCHEMBL17367387 | 0.65 | CA12 (0.33) | — | |
| Hydrochloric Acid SCHEMBL17364313 | 0.64 | CA12 (0.35) | — |
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-20150376219-A1 | Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods | ZHONG MINGHONG (US) | 2015-12-31 | — | — | US | disclosed |
| US-20150376219-A1 | Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods | ZHONG MINGHONG (US) | 2015-12-31 | — | — | US | disclosed |