⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133984 | 0.96 | — | — | |
| Water SCHEMBL27088466 | 0.92 | — | — | |
| SCHEMBL27816216 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL30315087 | 0.92 | — | — | |
| SCHEMBL28584414 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL11184752 | 0.92 | — | — | |
| Sulfuric Acid SCHEMBL31384057 | 0.88 | CA5A (0.46) | — | |
| Benzene SCHEMBL137637 | 0.85 | KDM4E (0.39) | — | |
| Benzene SCHEMBL10895681 | 0.85 | KDM4E (0.39) | — | |
| Isobutane SCHEMBL9416801 | 0.82 | CA2 (0.35) | — |
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-0407886-B1 | Method for producing plastic hollow parts with foamed walls | HOECHST AG (DE) | 1994-02-23 | — | — | EP | disclosed |
| EP-0407886-A2 | Method for producing plastic hollow parts with foamed walls | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-01-16 | — | — | EP | disclosed |