⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20952167 | 0.45 | — | — | |
| Hydrazine SCHEMBL2692899 | 0.42 | — | — | |
| Cyclohexane SCHEMBL182526 | 0.42 | — | — | |
| Cyclopropane SCHEMBL11090628 | 0.42 | — | — | |
| Cyclohexane SCHEMBL726714 | 0.39 | — | — | |
| Cyclopropane SCHEMBL9230754 | 0.39 | — | — | |
| Cyclohexane SCHEMBL23142614 | 0.36 | ALDH1A1 (0.33) | — | |
| SCHEMBL1542881 | 0.36 | ALDH1A1 (0.33) | — | |
| Cyclooctane SCHEMBL31262 | 0.36 | — | — | |
| Cyclooctane SCHEMBL11038481 | 0.36 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5601621-A | PRETREATING WITH SODIUM HYDROXIDE AND 2-OXO-1,3-OXAZOLIDINE | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |