⚠ 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 SCHEMBL9878646 | 0.82 | TAAR1 (0.52) | — | |
| SCHEMBL2410437 | 0.81 | NPC1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL9878698 | 0.80 | NPC1 (0.50) | — | |
| SCHEMBL2407403 | 0.80 | MCHR1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL9878934 | 0.79 | MCHR1 (0.43) | — | |
| SCHEMBL9879113 | 0.78 | NPC1 (0.41) | — | |
| SCHEMBL9879076 | 0.78 | NPC1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9879428 | 0.76 | MEN1 (0.44) | — | |
| SCHEMBL9879397 | 0.76 | MEN1 (0.53) | — | |
| SCHEMBL9878760 | 0.76 | — | — |
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 |