⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17151126 | 0.81 | MEN1 (0.33) | — | |
| SCHEMBL15633406 | 0.77 | — | — | |
| SCHEMBL11321780 | 0.71 | KMT2A (0.32) | — | |
| SCHEMBL18998281 | 0.70 | KMT2A (0.35) | — | |
| SCHEMBL17773649 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL4168090 | 0.64 | KMT2A (0.39) | — | |
| SCHEMBL29403057 | 0.63 | PTGS2 (0.36) | — | |
| SCHEMBL17816254 | 0.63 | — | — | |
| SCHEMBL16481518 | 0.62 | GABRB3 (0.36) | — | |
| SCHEMBL15633519 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015153304-A1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-08 | — | — | WO | disclosed |