⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459622 | 0.60 | — | — | |
| SCHEMBL2479756 | 0.56 | — | — | |
| SCHEMBL11106991 | 0.55 | — | — | |
| SCHEMBL122458 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL15020386 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL19412061 | 0.53 | — | — | |
| SCHEMBL14489238 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL10570408 | 0.39 | — | — | |
| SCHEMBL320324 | 0.37 | — | — | |
| SCHEMBL242394 | 0.34 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3325484-A1 | TGF BETA RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2018-05-30 | — | — | EP | claimed |
| WO-2017015425-A1 | TGF BETA RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-01-26 | — | — | WO | claimed |
| EP-3325484-A1 | TGF BETA RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017015425-A1 | TGF BETA RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-01-26 | — | — | WO | disclosed |