⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8957455 | 0.59 | — | — | |
| SCHEMBL7371122 | 0.56 | — | — | |
| SCHEMBL2839784 | 0.54 | CA12 (0.32) | — | |
| SCHEMBL27757943 | 0.52 | — | — | |
| Acetone SCHEMBL28370941 | 0.52 | P2RX7 (0.33) | — | |
| SCHEMBL135573 | 0.52 | — | — | |
| SCHEMBL7754527 | 0.52 | — | — | |
| SCHEMBL8602370 | 0.52 | — | — | |
| SCHEMBL22413865 | 0.51 | HSP90AA1 (0.32) | — | |
| Acetic Acid SCHEMBL27618049 | 0.51 | HSP90AA1 (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5086174-A | Amino-s-triazine reacted with carbon disulfide with strong base and diluent, in situ methylation | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | claimed |