⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29660 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL27656714 | 0.95 | — | — | |
| Methane SCHEMBL21683042 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL1585279 | 0.95 | — | — | |
| SCHEMBL9628677 | 0.95 | — | — | |
| Ethyne SCHEMBL28753719 | 0.93 | TAAR1 (0.43) | — | |
| Pyridine SCHEMBL8844947 | 0.86 | TAAR1 (0.38) | — | |
| Piperazine SCHEMBL28840953 | 0.86 | TAAR1 (0.38) | — | |
| SCHEMBL14361741 | 0.86 | TAAR1 (0.38) | — | |
| Glycolic Acid SCHEMBL11501012 | 0.83 | CYP2C19 (0.47) | — |
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-5866522-A | INTERNAL COMBUSTION ENGINE | NEMATEL DR. RUDOLF EIDENSCHINK (DE) | 1999-02-02 | — | — | US | disclosed |