⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27551649 | 0.88 | DNM1 (0.50) | — | |
| SCHEMBL18625860 | 0.87 | S1PR2 (0.35) | — | |
| SCHEMBL513958 | 0.87 | TSHR (0.40) | — | |
| SCHEMBL28172385 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL10156863 | 0.81 | — | — | |
| SCHEMBL18698846 | 0.81 | DNM1 (0.48) | — | |
| SCHEMBL22166983 | 0.80 | — | — | |
| SCHEMBL514807 | 0.78 | DNM1 (0.50) | — | |
| SCHEMBL18625791 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL513772 | 0.75 | DNM1 (0.55) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11198735-B2 | Anti-GITR antibodies and methods of use thereof | RINAT NEUROSCIENCE CORP. (US) | 2021-12-14 | — | — | US | disclosed |
| EP-3433247-B1 | 6-HYDROXY-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBOXAMIDES AS APJ AGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-09-08 | — | — | EP | disclosed |
| US-20200031947-A1 | ANTI-GITR ANTIBODIES AND METHODS OF USE THEREOF | RINAT NEUROSCIENCE CORP. | 2020-01-30 | — | — | US | disclosed |
| EP-1181295-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000073311-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | disclosed |