⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL22836740 | 0.95 | — | — | |
| SCHEMBL11801776 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL4965995 | 0.76 | — | — | |
| SCHEMBL11881119 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL27522184 | 0.70 | — | — | |
| SCHEMBL735065 | 0.70 | — | — | |
| SCHEMBL29111080 | 0.69 | — | — | |
| SCHEMBL8426535 | 0.67 | — | — | |
| SCHEMBL30065764 | 0.65 | — | — | |
| Thiourea SCHEMBL11801759 | 0.62 | — | — |
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-7371356-B2 | Method for the production of precipitated calcium carbonate with a high degree of brightness | BASF AKTIENGESELLSCHAFT (DE) | 2008-05-13 | — | — | US | disclosed |
| US-20050158226-A1 | Method for the production of precipitated calcium carbonate with a high degree of brightness | BASF AKTIENGESELLSCHAFT (DE) | 2005-07-21 | — | — | US | disclosed |