⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1579736 | 0.97 | — | — | |
| SCHEMBL10534194 | 0.78 | CA12 (0.37) | — | |
| SCHEMBL2688597 | 0.78 | HTR2A (0.39) | — | |
| SCHEMBL755562 | 0.77 | — | — | |
| SCHEMBL3714888 | 0.75 | — | — | |
| SCHEMBL18175371 | 0.75 | — | — | |
| SCHEMBL21563870 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5195560 | 0.75 | DNM1 (0.35) | — | |
| Bromide SCHEMBL8994509 | 0.73 | — | — | |
| SCHEMBL3584670 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0062940-A2 | Method, motor fuel composition and concentrate for control of octane requirement increase | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-10-20 | — | — | EP | disclosed |