⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL17351904 | 0.95 | — | — | |
| Carbamic Acid SCHEMBL3633766 | 0.90 | — | — | |
| Carbamic Acid SCHEMBL28208928 | 0.90 | — | — | |
| Carbamic Acid SCHEMBL27811102 | 0.86 | — | — | |
| Urea SCHEMBL11569843 | 0.84 | — | — | |
| SCHEMBL4592782 | 0.84 | — | — | |
| Carbamic Acid SCHEMBL2564971 | 0.84 | ACHE (1.00) | — | |
| Carbamic Acid SCHEMBL4466151 | 0.84 | ACHE (1.00) | — | |
| Carbamic Acid SCHEMBL75781 | 0.84 | — | — | |
| Carbamic Acid SCHEMBL5048206 | 0.84 | ACHE (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112979500-B | Device and method for purifying xylylene diisocyanate | 中国科学院过程工程研究所 | 2024-06-18 | — | — | CN | disclosed |
| WO-2004085394-A1 | 7-NITROINDOLINE DERIVATIVES AND THEIR USES | MEDICAL RESEARCH COUNCIL (GB) | 2004-10-07 | — | — | WO | disclosed |
| EP-1377548-A1 | PROCESS FOR NITRATING PHOTOCLEAVABLE COMPOUNDS | MEDICAL RESEARCH COUNCIL (GB) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002083639-A1 | PROCESS FOR NITRATING PHOTOCLEAVABLE COMPOUNDS | MEDICAL RESEARCH COUNCIL (GB) | 2002-10-24 | — | — | WO | disclosed |