⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11807371 | 0.81 | — | — | |
| SCHEMBL335788 | 0.77 | — | — | |
| Phosphoric Acid SCHEMBL31150719 | 0.74 | CA2 (0.40) | — | |
| SCHEMBL10409288 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11807376 | 0.74 | — | — | |
| SCHEMBL625851 | 0.74 | — | — | |
| Phosphoric Acid SCHEMBL5912502 | 0.72 | — | — | |
| SCHEMBL14681156 | 0.72 | — | — | |
| Phosphoric Acid SCHEMBL22235268 | 0.72 | CA2 (0.46) | — | |
| Phosphoric Acid SCHEMBL28817936 | 0.69 | CA2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5066745-A | Water-swellable crosslinked hydrogels, gel strength, absorption | CASSELLA AKTIENGESELLSCHAFT (DE) | 1991-11-19 | — | — | US | disclosed |
| US-4959441-A | CROSSLINKING AGENTS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1990-09-25 | — | — | US | disclosed |