⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5059018 | 0.79 | — | — | |
| SCHEMBL622233 | 0.76 | — | — | |
| SCHEMBL16111087 | 0.76 | — | — | |
| SCHEMBL6133077 | 0.73 | — | — | |
| SCHEMBL2917710 | 0.73 | — | — | |
| SCHEMBL6427107 | 0.71 | — | — | |
| SCHEMBL9930638 | 0.69 | — | — | |
| SCHEMBL7708613 | 0.67 | — | — | |
| SCHEMBL465433 | 0.66 | — | — | |
| SCHEMBL1298536 | 0.65 | — | — |
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-2424975-A2 | ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL | Genomatica, Inc. (US) | 2012-03-07 | — | — | EP | claimed |
| WO-2010127319-A2 | ORGANISMS FOR THE PRODUCTION OF 1,3-BUTANEDIOL | GENOMATICA, INC. (US) | 2010-11-04 | — | — | WO | claimed |