⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20075810 | 0.79 | HTT (0.38) | — | |
| SCHEMBL17871066 | 0.75 | — | — | |
| SCHEMBL1617849 | 0.70 | HTR6 (0.32) | — | |
| SCHEMBL21261372 | 0.67 | TDP1 (0.40) | — | |
| SCHEMBL31320527 | 0.67 | NSD1 (0.33) | — | |
| SCHEMBL17840853 | 0.62 | KDM4E (0.39) | — | |
| SCHEMBL22696511 | 0.61 | — | — | |
| SCHEMBL535621 | 0.61 | KDM4E (0.41) | — | |
| SCHEMBL31709596 | 0.60 | HTT (0.36) | — | |
| SCHEMBL17840559 | 0.60 | SMN1; SMN2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107257798-A | TGF β R antagonists | 百时美施贵宝公司 | 2017-10-17 | — | — | CN | disclosed |