⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL15841514 | 0.96 | — | — | |
| SCHEMBL28167996 | 0.74 | — | — | |
| SCHEMBL1682121 | 0.72 | KMT2A (0.30) | — | |
| SCHEMBL1095387 | 0.72 | — | — | |
| SCHEMBL302144 | 0.70 | CYP2D6 (0.31) | — | |
| SCHEMBL410074 | 0.70 | — | — | |
| SCHEMBL411943 | 0.70 | — | — | |
| SCHEMBL14738666 | 0.70 | — | — | |
| SCHEMBL508031 | 0.69 | CHRM2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28948510 | 0.69 | CYP2D6 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2547822-B1 | PROCESS FOR FIBRILLATING LIGNOCELLULOSIC MATERIAL, FIBRES AND THEIR USE | UNIV HELSINKI (FI) | 2014-07-02 | — | — | EP | disclosed |
| US-20130056165-A1 | PROCESS FOR FIBRILLATING LIGNOCELLULOSIC MATERIAL, FIBRES AND THEIR USE | UNIVERSITY OF HELSINKI (FI) | 2013-03-07 | — | — | US | disclosed |