⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3785841 | 1.00 | — | — | |
| SCHEMBL3784944 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3779751 | 0.91 | — | — | |
| SCHEMBL3788356 | 0.84 | — | — | |
| SCHEMBL9499492 | 0.84 | PKM (0.54) | — | |
| SCHEMBL16701413 | 0.84 | PKM (0.54) | — | |
| SCHEMBL16701417 | 0.84 | PKM (0.54) | — | |
| Hydrochloric Acid SCHEMBL3338837 | 0.82 | — | — | |
| SCHEMBL1554275 | 0.81 | PKM (0.55) | — | |
| SCHEMBL29352921 | 0.81 | PKM (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100331294-A1 | 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-12-30 | — | — | US | claimed |
| US-8796297-B2 | 4-substituted-2-amino-pyrimidine derivatives | ABBVIE INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20100331294-A1 | 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-12-30 | — | — | US | disclosed |