⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15103295 | 0.83 | MAPT (0.50) | — | |
| SCHEMBL9715391 | 0.81 | — | — | |
| SCHEMBL2332433 | 0.78 | — | — | |
| SCHEMBL13351176 | 0.77 | CNR1 (0.33) | — | |
| SCHEMBL14019689 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL3763074 | 0.76 | NPC1 (0.36) | — | |
| SCHEMBL15011668 | 0.75 | MAPT (0.39) | — | |
| SCHEMBL4252185 | 0.75 | — | — | |
| SCHEMBL27718087 | 0.75 | MAPT (0.39) | — | |
| Hydrochloric Acid SCHEMBL11626673 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2010043007-A | METHOD OF PREPARING ALKYL-N,N-DIMETHYLCARBAMATE, AND DETERGENT AND POLYMER SOLUTION EACH COMPRISING THE SAME | IDEMITSU KOSAN CO LTD | 2010-02-25 | — | — | JP | disclosed |