⚠ 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 SCHEMBL28007184 | 0.97 | CAMK2A (0.36) | — | |
| SCHEMBL27345260 | 0.93 | CAMK2A (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL28007189 | 0.88 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL732006 | 0.86 | — | — | |
| SCHEMBL94617 | 0.80 | — | — | |
| SCHEMBL5694323 | 0.78 | — | — | |
| SCHEMBL5582363 | 0.73 | — | — | |
| SCHEMBL27474176 | 0.73 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL101405 | 0.72 | — | — | |
| SCHEMBL3388550 | 0.72 | — | — |
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-0423613-A1 | Rapid rain-resistant grouting masses | Henkel Kommanditgesellschaft auf Aktien (DE) | 1991-04-24 | — | — | EP | disclosed |
| US-4096325-A | GELLING ORGANIC SOLVENTS | ANHEUSER-BUSCH, INCORPORATED (US) | 1978-06-20 | — | — | US | disclosed |