⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19869331 | 0.83 | — | — | |
| SCHEMBL18555379 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL18007667 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9050360 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL9388285 | 0.75 | — | — | |
| SCHEMBL44180 | 0.75 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL3072682 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL432534 | 0.73 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL120845 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL43895 | 0.73 | SPHK2 (0.36) | — |
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-20150266857-A1 | NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE | ITEOS THERAPEUTICS (BE) | 2015-09-24 | — | — | US | disclosed |