⚠ 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 SCHEMBL16239428 | 0.99 | HTR2C (0.31) | — | |
| SCHEMBL814512 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8380283 | 0.83 | — | — | |
| SCHEMBL8672294 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8379126 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7932444 | 0.81 | — | — | |
| Butane SCHEMBL7928057 | 0.80 | — | — | |
| SCHEMBL8762792 | 0.78 | CYP2D6 (0.31) | — | |
| SCHEMBL8762795 | 0.78 | CYP2D6 (0.31) | — | |
| SCHEMBL16239593 | 0.76 | SIGMAR1 (0.32) | — |
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-2464670-B1 | PROCESSES FOR CONTROLLING THE VISCOSITY OF POLYALPHAOLEFINS | CHEMTURA CORP (US) | 2014-11-19 | — | — | EP | claimed |