⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL785780 | 1.00 | — | — | |
| SCHEMBL25692436 | 1.00 | — | — | |
| SCHEMBL34474875 | 0.76 | SSTR4 (0.33) | — | |
| SCHEMBL18969277 | 0.76 | SSTR4 (0.33) | — | |
| SCHEMBL17228533 | 0.76 | KCNH2 (0.36) | — | |
| SCHEMBL31208581 | 0.76 | SSTR4 (0.33) | — | |
| SCHEMBL31209359 | 0.75 | — | — | |
| SCHEMBL31691872 | 0.71 | — | — | |
| SCHEMBL31209640 | 0.71 | SSTR4 (0.31) | — | |
| SCHEMBL24792230 | 0.70 | SSTR4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3885342-A1 | BICYCLIC INHIBITORS OF PAD4 | Padlock Therapeutics, Inc. (US) | 2021-09-29 | — | — | EP | disclosed |
| WO-2017100594-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |