⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2410511 | 0.91 | ABCC9 (0.33) | — | |
| SCHEMBL2191180 | 0.91 | MMP2 (0.36) | — | |
| SCHEMBL2192366 | 0.87 | DCTPP1 (0.31) | — | |
| SCHEMBL2410111 | 0.87 | DHODH (0.30) | — | |
| SCHEMBL2194706 | 0.87 | GRM4 (0.33) | — | |
| SCHEMBL2411398 | 0.87 | SLC40A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4414498 | 0.86 | ABCC9 (0.30) | — | |
| SCHEMBL2194609 | 0.86 | MMP2 (0.30) | — | |
| SCHEMBL2195124 | 0.85 | RORC (0.32) | — | |
| SCHEMBL2411931 | 0.85 | — | — |
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-20110172275-A1 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-07-14 | — | — | US | disclosed |