⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20043392 | 0.80 | — | — | |
| SCHEMBL20043318 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL20043393 | 0.76 | — | — | |
| SCHEMBL20043310 | 0.74 | BACE1 (0.31) | — | |
| SCHEMBL20043315 | 0.72 | PIM2 (0.33) | — | |
| SCHEMBL20043309 | 0.70 | MITF (0.34) | — | |
| SCHEMBL18157909 | 0.67 | CHRNB2 (0.40) | — | |
| SCHEMBL15314170 | 0.63 | CYP3A4 (0.35) | — | |
| SCHEMBL15314157 | 0.63 | HTR3E (0.38) | — | |
| SCHEMBL23212761 | 0.62 | CYP3A4 (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-20190276478-A1 | HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS | THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC | 2019-09-12 | — | — | US | disclosed |
| WO-2018067762-A2 | HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS | THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) | 2018-04-12 | — | — | WO | disclosed |