⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12609548 | 0.89 | — | — | |
| SCHEMBL12609551 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL12609806 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL12609804 | 0.88 | — | — | |
| SCHEMBL27631714 | 0.83 | — | — | |
| SCHEMBL12609957 | 0.82 | — | — | |
| SCHEMBL12609952 | 0.82 | — | — | |
| SCHEMBL27612584 | 0.81 | — | — | |
| SCHEMBL28876160 | 0.79 | — | — | |
| SCHEMBL27612681 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |