⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15710767 | 1.00 | — | — | |
| SCHEMBL14583132 | 1.00 | — | — | |
| SCHEMBL8279880 | 1.00 | — | — | |
| SCHEMBL12064606 | 1.00 | — | — | |
| SCHEMBL8242129 | 1.00 | — | — | |
| SCHEMBL15711204 | 1.00 | — | — | |
| SCHEMBL8349858 | 1.00 | — | — | |
| SCHEMBL15710394 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31311070 | 0.97 | — | — | |
| SCHEMBL24704539 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140142337-A1 | 1-AMINO-2-VINYLCYCLOPROPANE CARBOXYLIC ACID AMIDE AND SALT THEREOF, AND METHOD FOR PRODUCING SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2014-05-22 | — | — | US | disclosed |
| EP-1455809-B1 | INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2011-06-15 | — | — | EP | disclosed |