⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9878254 | 0.88 | — | — | |
| SCHEMBL9880002 | 0.88 | GBA1 (0.39) | — | |
| SCHEMBL9878885 | 0.83 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL9878500 | 0.80 | — | — | |
| SCHEMBL9879871 | 0.79 | SLC2A1 (0.45) | — | |
| SCHEMBL9878711 | 0.79 | — | — | |
| SCHEMBL9776705 | 0.75 | NPC1 (0.59) | — | |
| Hydrochloric Acid SCHEMBL9878197 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9776921 | 0.74 | NPC1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL9776836 | 0.74 | NPC1 (0.61) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991018887-A1 | DIAMINOPYRIMIDINE COMPOUNDS | SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) | 1991-12-12 | — | — | WO | disclosed |