⚠ 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) | — | |
| SCHEMBL28179935 | 0.75 | — | — | |
| SCHEMBL3403322 | 0.68 | ELANE (0.39) | — | |
| SCHEMBL25263196 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL1617849 | 0.66 | HTR6 (0.32) | — | |
| SCHEMBL27749404 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL21261372 | 0.63 | TDP1 (0.40) | — | |
| SCHEMBL31320527 | 0.63 | NSD1 (0.33) | — | |
| SCHEMBL1977996 | 0.63 | — | — | |
| SCHEMBL14698283 | 0.63 | ALDH1A1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3237415-A1 | TGF RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016106266-A1 | TGFβ RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-06-30 | — | — | WO | disclosed |