⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37231 | 0.84 | CYP1A2 (0.32) | — | |
| SCHEMBL6686296 | 0.82 | CYP1A2 (0.31) | — | |
| SCHEMBL4069273 | 0.82 | — | — | |
| SCHEMBL8468674 | 0.78 | CYP1A2 (0.35) | — | |
| SCHEMBL569444 | 0.78 | DNM1 (0.36) | — | |
| SCHEMBL2332260 | 0.77 | — | — | |
| SCHEMBL9699859 | 0.77 | DNM1 (0.40) | — | |
| SCHEMBL9698904 | 0.77 | DNM1 (0.40) | — | |
| SCHEMBL9697337 | 0.77 | DNM1 (0.40) | — | |
| SCHEMBL9698527 | 0.77 | DNM1 (0.40) | — |
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-2655422-B1 | PROCESS FOR PREPARING A MASTERBATCH IN THE LIQUID PHASE | MICHELIN & CIE (FR) | 2015-02-25 | — | — | EP | claimed |
| EP-0849320-B1 | Process for mixing silica in a polymer latex | DSM COPOLYMER INC (US) | 2002-04-03 | — | — | EP | disclosed |
| US-5763388-A | Process for producing improved silica-reinforced masterbatch of polymers prepared in latex form | DSM COPOLYMER, INC. (US) | 1998-06-09 | — | — | US | disclosed |