⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19235492 | 0.78 | GAA (0.51) | — | |
| SCHEMBL6784024 | 0.71 | MAPT (0.55) | — | |
| SCHEMBL30623277 | 0.70 | IDO1 (0.65) | — | |
| SCHEMBL17601523 | 0.70 | IDO1 (0.65) | — | |
| SCHEMBL1503985 | 0.69 | NPC1 (0.49) | — | |
| SCHEMBL210244 | 0.68 | GPR35 (0.53) | — | |
| Hydrochloric Acid SCHEMBL27827875 | 0.68 | IDO1 (0.63) | — | |
| SCHEMBL19236011 | 0.68 | — | — | |
| SCHEMBL6784028 | 0.67 | MAPT (0.53) | — | |
| SCHEMBL6783797 | 0.67 | — | — |
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-2010053583-A2 | SMALL MOLECULE CD4 MIMETICS AND USES THEREOF | DANA FARBER CANCER INSTITUTE (US) | 2010-05-14 | — | — | WO | disclosed |