⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6626567 | 0.94 | — | — | |
| SCHEMBL4079651 | 0.88 | TSHR (0.31) | — | |
| SCHEMBL22820872 | 0.85 | — | — | |
| SCHEMBL19527609 | 0.82 | SIGMAR1 (0.33) | — | |
| SCHEMBL11868831 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL5952995 | 0.80 | — | — | |
| SCHEMBL26627419 | 0.80 | FPR3 (0.34) | — | |
| SCHEMBL9801033 | 0.80 | KEAP1 (0.32) | — | |
| SCHEMBL2058181 | 0.79 | — | — | |
| SCHEMBL9286272 | 0.77 | PARP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3658522-B1 | IMMUNOMODULATOR COMPOUNDS | CHEMOCENTRYX INC (US) | 2021-12-22 | — | — | EP | disclosed |
| US-4992150-A | Telomer with alpha-olefin;oil and fuel additive | NIPPON OIL CO, LTD. (JP) | 1991-02-12 | — | — | US | disclosed |