⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14559794 | 0.79 | — | — | |
| SCHEMBL15948655 | 0.77 | — | — | |
| SCHEMBL9375286 | 0.77 | — | — | |
| SCHEMBL23780906 | 0.73 | CES2 (0.62) | — | |
| SCHEMBL16123439 | 0.73 | MCL1 (0.47) | — | |
| SCHEMBL21396424 | 0.73 | HPGD (0.49) | — | |
| SCHEMBL17701596 | 0.73 | — | — | |
| SCHEMBL23489532 | 0.72 | MEN1 (0.54) | — | |
| SCHEMBL10350231 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL20243588 | 0.70 | MEN1 (0.37) | — |
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-2015051230-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | DREXEL UNIVERSITY (US) | 2015-04-09 | — | — | WO | disclosed |