⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27470466 | 0.74 | TGFBR1 (0.34) | — | |
| SCHEMBL20299380 | 0.72 | TGFBR1 (0.33) | — | |
| SCHEMBL27708322 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL27611850 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL635230 | 0.67 | ZDHHC20 (0.38) | — | |
| SCHEMBL27415837 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL3634858 | 0.66 | ZDHHC20 (0.37) | — | |
| SCHEMBL28177673 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL1425968 | 0.66 | — | — | |
| SCHEMBL25210600 | 0.65 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| EP-0896123-B1 | Process to slow down the growth and/or the agglomeration and possibly delaying the formation of hydrates in a production effluent | INST FRANCAIS DU PETROLE (FR) | 2005-07-27 | — | — | EP | disclosed |