⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7945319 | 0.92 | — | — | |
| SCHEMBL9614406 | 0.82 | — | — | |
| SCHEMBL9367801 | 0.79 | KCNH3 (0.35) | — | |
| SCHEMBL10907329 | 0.76 | KCNH3 (0.35) | — | |
| SCHEMBL9861673 | 0.76 | KCNH3 (0.35) | — | |
| SCHEMBL7481323 | 0.76 | IDH1 (0.34) | — | |
| SCHEMBL11101373 | 0.74 | KMT2A (0.36) | — | |
| SCHEMBL11203827 | 0.73 | GAA (0.35) | — | |
| SCHEMBL294893 | 0.72 | SLC29A1 (0.31) | — | |
| SCHEMBL7945324 | 0.71 | CA12 (0.32) | — |
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-5767179-A | INFRARED ABSORBERS | FUJI CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-06-16 | — | — | US | disclosed |