⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL1359370 | 1.00 | — | — | |
| SCHEMBL10485521 | 0.91 | — | — | |
| SCHEMBL360628 | 0.91 | — | — | |
| SCHEMBL637978 | 0.91 | — | — | |
| SCHEMBL5823167 | 0.91 | — | — | |
| SCHEMBL15396243 | 0.87 | — | — | |
| Bicarbonate SCHEMBL5674166 | 0.85 | CA1 (0.36) | — | |
| SCHEMBL10843946 | 0.72 | — | — | |
| SCHEMBL17886478 | 0.71 | — | — | |
| SCHEMBL5868414 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110277991-A1 | Methods of identifying stimulants for methane production from hydrocarbon-bearing formations | SYNTHETIC GENOMICS, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| US-7977056-B2 | Methods of identifying stimulants for biogenic methane production from hydrocarbon-bearing formations | SYNTHETIC GENOMICS, INC. (US) | 2011-07-12 | — | — | US | disclosed |
| EP-2294281-A1 | METHODS TO STIMULATE BIOGENIC METHANE PRODUCTION FROM HYDROCARBON-BEARING FORMATION | Synthetic Genomics, Inc. (US) | 2011-03-16 | — | — | EP | disclosed |