⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27890103 | 1.00 | — | — | |
| SCHEMBL1000640 | 0.78 | — | — | |
| SCHEMBL1000638 | 0.78 | — | — | |
| SCHEMBL11816262 | 0.77 | HPGD (0.48) | — | |
| SCHEMBL11787055 | 0.77 | HPGD (0.48) | — | |
| SCHEMBL11816517 | 0.77 | HPGD (0.48) | — | |
| SCHEMBL11787049 | 0.77 | HPGD (0.48) | — | |
| Ocimene SCHEMBL23589 | 0.76 | TSHR (0.41) | — | |
| Ocimene SCHEMBL83330 | 0.76 | TSHR (0.41) | — | |
| Ocimene SCHEMBL157852 | 0.76 | TSHR (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3507280-A2 | COALESCING AGENT DERIVED FROM DIOXOLANE DERIVATIVES | PTT Global Chemical Public Company Limited (TH) | 2019-07-10 | — | — | EP | claimed |
| EP-3507280-A2 | COALESCING AGENT DERIVED FROM DIOXOLANE DERIVATIVES | PTT Global Chemical Public Company Limited (TH) | 2019-07-10 | — | — | EP | disclosed |
| US-20190194157-A1 | COALESCING AGENT DERIVED FROM DIOXOLANE DERIVATIVES | PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) | 2019-06-27 | — | — | US | disclosed |