⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9236553 | 0.82 | — | — | |
| Water SCHEMBL28239508 | 0.82 | — | — | |
| SCHEMBL11007550 | 0.71 | — | — | |
| SCHEMBL2159567 | 0.71 | — | — | |
| SCHEMBL11345082 | 0.71 | — | — | |
| Water SCHEMBL25436674 | 0.71 | — | — | |
| SCHEMBL7916337 | 0.71 | — | — | |
| SCHEMBL8641010 | 0.71 | — | — | |
| SCHEMBL871136 | 0.71 | — | — | |
| SCHEMBL9115830 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160368835-A1 | PROCESS FOR THE AROMATIZATION OF A METHANE-CONTAINING GAS STREAM USING TITANIUM HYDROGEN ACCEPTOR PARTICLES | SHELL OIL COMPANY | 2016-12-22 | — | — | US | disclosed |