⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14776394 | 1.00 | — | — | |
| SCHEMBL20040171 | 0.82 | FFAR3 (0.32) | — | |
| SCHEMBL14776361 | 0.81 | — | — | |
| SCHEMBL14776357 | 0.81 | — | — | |
| SCHEMBL15295403 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL15295405 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL14776553 | 0.76 | — | — | |
| SCHEMBL14776555 | 0.76 | — | — | |
| SCHEMBL71371 | 0.69 | FFAR3 (0.33) | — | |
| SCHEMBL6880985 | 0.69 | FFAR3 (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 |
|---|---|---|---|---|---|---|---|
| US-8551746-B2 | Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas | COSKATA, INC. (US) | 2013-10-08 | — | — | US | disclosed |
| US-20130071896-A1 | METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS | COSKATA (ASSIGNMENT FOR THE BENEFIT OF CREDITORS), LLC. | 2013-03-21 | — | — | US | disclosed |