⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL10647309 | 1.00 | — | — | |
| Fluoride SCHEMBL2792212 | 1.00 | — | — | |
| SCHEMBL186840 | 0.87 | — | — | |
| Hydrazine SCHEMBL3048262 | 0.58 | — | — | |
| Hydrazine SCHEMBL3048264 | 0.58 | — | — | |
| Hydrazine SCHEMBL2828304 | 0.58 | — | — | |
| Hydrazine SCHEMBL27546123 | 0.58 | — | — | |
| Fluoride SCHEMBL9753760 | 0.58 | CA4 (0.33) | — | |
| Hydrazine SCHEMBL2521677 | 0.58 | — | — | |
| Fluoride SCHEMBL49263 | 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-1379498-A1 | SULPHONES WHICH MODULATE THE ACTION OF GAMMA SECRETASE | MERCK SHARP & DOHME LTD. (GB) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002081435-A1 | SULPHONES WHICH MODULATE THE ACTION OF GAMMA SECRETASE | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-17 | — | — | WO | disclosed |
| EP-0009227-B1 | FLUORINATION PROCESS AND FLUORO ANALOGS OF HYDROCODONE AND OXYCODONE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-09-01 | — | — | EP | disclosed |