⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8314220 | 0.71 | — | — | |
| SCHEMBL9175475 | 0.69 | — | — | |
| SCHEMBL1840595 | 0.69 | — | — | |
| SCHEMBL5832570 | 0.67 | — | — | |
| SCHEMBL10416311 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL13342321 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL11631982 | 0.63 | — | — | |
| SCHEMBL10974357 | 0.63 | — | — | |
| SCHEMBL10976923 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL19464208 | 0.61 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58134087-A | — | — | None | — | — | JP | disclosed |
| WO-2011141522-A1 | BIODEGRADABLE SUPERABSORBER | GEOHUMUS INTERNATIONAL RESEARCH & DEVELOPMENT GMBH (DE) | 2011-11-17 | — | — | WO | disclosed |
| JP-S58134087-A | 2-HALOGENOMETHYL-1,3-DIOXACYCLOHEPT-5-ENE | TOAGOSEI CHEM IND CO LTD | 1983-08-10 | — | — | JP | disclosed |