⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49945 | 0.82 | — | — | |
| Ethane SCHEMBL6550234 | 0.73 | — | — | |
| Phosphine SCHEMBL9007695 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30294024 | 0.73 | — | — | |
| SCHEMBL18920332 | 0.73 | — | — | |
| Methane SCHEMBL10341707 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL641352 | 0.73 | — | — | |
| SCHEMBL9227174 | 0.73 | — | — | |
| SCHEMBL18919813 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL29097490 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8450440-B2 | Method for purifying polymer and polymer | MITSUI CHEMICALS, INC. (JP) | 2013-05-28 | — | — | US | disclosed |
| US-20120208976-A1 | METHOD FOR PURIFYING POLYMER AND POLYMER | MITSUI CHEMICALS, INC (JP) | 2012-08-16 | — | — | US | disclosed |