⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36651 | 0.91 | — | — | |
| SCHEMBL28434975 | 0.91 | TSHR (0.42) | — | |
| Alcohol SCHEMBL28198579 | 0.89 | — | — | |
| Ethylene Glycol SCHEMBL27491948 | 0.88 | TSHR (0.40) | — | |
| Ethylene Glycol SCHEMBL21571470 | 0.88 | TSHR (0.40) | — | |
| SCHEMBL27571643 | 0.88 | TSHR (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL6141048 | 0.88 | — | — | |
| SCHEMBL27995099 | 0.88 | — | — | |
| Methoxymethane SCHEMBL9171977 | 0.85 | MEN1 (0.50) | — | |
| Allyl Alcohol SCHEMBL28186067 | 0.83 | TSHR (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0843667-A1 | SUBSTITUTED PHENYLURACILS | BAYER AG (DE) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997008151-A1 | SALTS OF N-(2-CYCLOPROPYLCARBONYL-PHENYLAMINOSULPHONYL)-N'-(4,6-DIMETHOXY-2-PYRIMIDINYL)-UREA | BAYER AKTIENGESELLSCHAFT (DE) | 1997-03-06 | — | — | WO | disclosed |
| WO-1997005118-A1 | SUBSTITUTED PHENYLURACILS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-13 | — | — | WO | disclosed |