⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177824 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL11222074 | 0.94 | — | — | |
| SCHEMBL28867559 | 0.94 | — | — | |
| SCHEMBL6825703 | 0.84 | CA1 (0.35) | — | |
| Fluoride SCHEMBL11235058 | 0.77 | — | — | |
| Pyridine SCHEMBL21291902 | 0.77 | TDP1 (0.38) | — | |
| Phenol SCHEMBL21808564 | 0.75 | CA12 (0.44) | — | |
| SCHEMBL6493 | 0.73 | — | — | |
| SCHEMBL9879115 | 0.73 | CYP2C19 (0.42) | — | |
| Fluoride SCHEMBL11232322 | 0.73 | CA2 (0.59) | — |
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-4327034-A | CHEMICAL INTERMEDIATE PREPARED FROM A SULFAMIC ACID HALIDE AND A HALOGEN COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 1982-04-27 | — | — | US | disclosed |