⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18370658 | 1.00 | — | — | |
| SCHEMBL21626881 | 0.78 | — | — | |
| SCHEMBL3292726 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8811631 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL1250524 | 0.76 | — | — | |
| SCHEMBL20649365 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL19006149 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL11496586 | 0.74 | — | — | |
| SCHEMBL28290997 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL18370158 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3483144-A1 | HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME | Sumitomo Chemical Company, Limited (JP) | 2019-05-15 | — | — | EP | disclosed |
| WO-2015103508-A1 | CARBOCYCLIC SULFONE RORγ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-09 | — | — | WO | disclosed |
| EP-2003132-B1 | Oxadiazole derivatives as S1P1 agonists | ASTELLAS PHARMA INC (JP) | 2014-03-05 | — | — | EP | disclosed |
| WO-2009135299-A1 | 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2009-11-12 | — | — | WO | disclosed |