⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7040037 | 0.76 | — | — | |
| SCHEMBL2561779 | 0.73 | — | — | |
| SCHEMBL8425054 | 0.73 | — | — | |
| SCHEMBL43151 | 0.73 | — | — | |
| SCHEMBL6101237 | 0.73 | — | — | |
| SCHEMBL3864324 | 0.73 | — | — | |
| SCHEMBL9359650 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL16969800 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL2566336 | 0.71 | — | — | |
| SCHEMBL16970206 | 0.71 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001090085-A2 | 6-METHYL-4-TRIHALOMETHYLTRIAZINE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-29 | — | — | WO | disclosed |