⚠ 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 SCHEMBL6047501 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL5079545 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL5077564 | 0.94 | — | — | |
| SCHEMBL6228828 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL397056 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL811712 | 0.93 | — | — | |
| SCHEMBL6229063 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL5083624 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL401316 | 0.92 | — | — | |
| SCHEMBL2869219 | 0.91 | — | — |
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-7795194-B2 | Synthetic lubricating oil and lubricating oil composition | MITSUI CHEMICALS, INC. (JP) | 2010-09-14 | — | — | US | disclosed |