⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9875892 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL3654750 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL3930535 | 0.76 | CA2 (0.33) | — | |
| SCHEMBL2564184 | 0.73 | CA2 (0.32) | — | |
| SCHEMBL13539590 | 0.66 | KDM4E (0.43) | — | |
| SCHEMBL5595903 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL15725313 | 0.65 | PGK1 (0.37) | — | |
| SCHEMBL28993667 | 0.64 | — | — | |
| SCHEMBL10455200 | 0.62 | TDP1 (0.37) | — | |
| SCHEMBL8432201 | 0.60 | CHEK1 (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-20150166890-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-18 | — | — | US | disclosed |