⚠ 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 | |
|---|---|---|---|---|
| Trimetaphosphoric Acid SCHEMBL11526788 | 1.00 | — | — | |
| SCHEMBL11793157 | 0.81 | — | — | |
| Trimetaphosphoric Acid SCHEMBL22554208 | 0.81 | — | — | |
| Trimetaphosphoric Acid SCHEMBL28805451 | 0.78 | ALDH1A1 (0.40) | — | |
| Trimetaphosphoric Acid SCHEMBL21878550 | 0.78 | — | — | |
| SCHEMBL6538667 | 0.75 | — | — | |
| SCHEMBL11399935 | 0.75 | — | — | |
| SCHEMBL19599291 | 0.75 | — | — | |
| SCHEMBL28997917 | 0.75 | — | — | |
| SCHEMBL11798110 | 0.73 | — | — |
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-5500020-A | SOFTNESS, REPEAT TANNING | COLOROBBIA ITALIA S.P.A. (IT) | 1996-03-19 | — | — | US | disclosed |
| US-4921536-A | Non-calcareous castable binder | CHICAGO FIRE BRICK COMPANY (US) | 1990-05-01 | — | — | US | disclosed |