⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14720437 | 0.83 | PEPD (0.39) | — | |
| SCHEMBL2222306 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL23647273 | 0.76 | KEAP1 (0.30) | — | |
| SCHEMBL23647274 | 0.76 | KEAP1 (0.30) | — | |
| SCHEMBL1408587 | 0.72 | — | — | |
| SCHEMBL27413681 | 0.72 | — | — | |
| SCHEMBL4560436 | 0.72 | — | — | |
| SCHEMBL18862974 | 0.72 | — | — | |
| SCHEMBL17553127 | 0.72 | — | — | |
| SCHEMBL1408458 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016097289-A1 | ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL | GLOBAL BIOENERGIES (FR) | 2016-06-23 | — | — | WO | claimed |
| WO-2016097289-A1 | ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL | GLOBAL BIOENERGIES (FR) | 2016-06-23 | — | — | WO | disclosed |