⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21724766 | 0.88 | TACR1 (0.38) | — | |
| SCHEMBL21724535 | 0.86 | PYCR1 (0.46) | — | |
| SCHEMBL21723914 | 0.85 | PYCR1 (0.41) | — | |
| SCHEMBL21724030 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL21723948 | 0.79 | MAOA (0.35) | — | |
| SCHEMBL21723873 | 0.78 | TACR1 (0.44) | — | |
| SCHEMBL10852766 | 0.78 | RAB9A (0.46) | — | |
| SCHEMBL21724331 | 0.77 | PYCR1 (0.39) | — | |
| SCHEMBL21723951 | 0.77 | PYCR1 (0.48) | — | |
| SCHEMBL21724804 | 0.76 | DAO (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | claimed |
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | disclosed |