⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7919150 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL9504429 | 0.62 | MEN1 (0.38) | — | |
| SCHEMBL10501494 | 0.62 | KMT2A (0.36) | — | |
| SCHEMBL9501110 | 0.62 | PTGS2 (0.39) | — | |
| SCHEMBL9453084 | 0.61 | DAO (0.41) | — | |
| SCHEMBL9502415 | 0.61 | KMT2A (0.34) | — | |
| SCHEMBL10737705 | 0.61 | MEN1 (0.42) | — | |
| SCHEMBL9504425 | 0.60 | NPBWR1 (0.35) | — | |
| SCHEMBL6248177 | 0.60 | DDB1 (0.47) | — | |
| SCHEMBL10733171 | 0.59 | HTR1A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0154885-B1 | SUBSTITUTED 2-PHENYL-HEXAHYDRO-1,2,4-TRIAZINE-2,5-DIONES, METHOD FOR THEIR PREPARATION, THEIR USE AS VETERINARY MEDICINES AND FOR COMBATING PROTOZOES | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-18 | — | — | EP | claimed |