⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19192179 | 0.87 | — | — | |
| SCHEMBL28912944 | 0.74 | — | — | |
| SCHEMBL435430 | 0.73 | — | — | |
| SCHEMBL19116426 | 0.72 | — | — | |
| SCHEMBL24163105 | 0.72 | — | — | |
| SCHEMBL27491942 | 0.70 | FDPS (0.36) | — | |
| SCHEMBL27508348 | 0.70 | — | — | |
| SCHEMBL16580330 | 0.70 | — | — | |
| SCHEMBL12826375 | 0.69 | — | — | |
| SCHEMBL5972431 | 0.69 | TSHR (0.40) | — |
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-1084087-A2 | WATER-RESISTANT HYDRAULICALLY SETTING COMPOSITIONS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999054263-A2 | WATER-RESISTANT HYDRAULICALLY SETTING COMPOSITIONS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1999-10-28 | — | — | WO | disclosed |