⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6430846 | 0.64 | SIGMAR1 (0.30) | — | |
| SCHEMBL7100243 | 0.64 | HPGD (0.36) | — | |
| SCHEMBL29692028 | 0.62 | CA1 (0.33) | — | |
| SCHEMBL28286321 | 0.60 | HPGD (0.39) | — | |
| SCHEMBL4071380 | 0.59 | HPGD (0.38) | — | |
| SCHEMBL4148701 | 0.59 | HPGD (0.38) | — | |
| SCHEMBL4838387 | 0.59 | HTR2A (0.36) | — | |
| SCHEMBL3696580 | 0.58 | HPGD (0.44) | — | |
| SCHEMBL18634021 | 0.58 | MAOA (0.39) | — | |
| SCHEMBL2402305 | 0.58 | AADAT (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7557210-B2 | 2,4-pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2009-07-07 | — | — | US | disclosed |