⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6683290 | 0.73 | — | — | |
| Urea SCHEMBL27971460 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL27721640 | 0.71 | TAS2R38 (0.54) | — | |
| Thiourea SCHEMBL11357756 | 0.71 | TSHR (0.40) | — | |
| SCHEMBL7080007 | 0.69 | CA12 (0.42) | — | |
| SCHEMBL6830603 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL10768461 | 0.69 | — | — | |
| SCHEMBL21811 | 0.68 | — | — | |
| SCHEMBL134569 | 0.68 | — | — | |
| SCHEMBL75527 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101061090-B | Preparation method of alpha, alpha-difluoroamine | HOKKAIDO UNIV NAT UNIVERSITY CORP | 2011-06-15 | — | — | CN | disclosed |
| CN-101061090-A | Preparation method of alpha, alpha-difluoroamine | UNIV HOKKAIDO NAT UNIV CORP (JP) | 2007-10-24 | — | — | CN | disclosed |
| WO-2004065305-A1 | NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE | UNIVERSITY OF DAYTON (US) | 2004-08-05 | — | — | WO | disclosed |