⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25865910 | 0.93 | CNR1 (0.33) | — | |
| SCHEMBL25865913 | 0.81 | ALOX15 (0.35) | — | |
| SCHEMBL10953186 | 0.65 | CA2 (0.45) | — | |
| SCHEMBL12981654 | 0.63 | ESR1 (0.40) | — | |
| SCHEMBL21504867 | 0.62 | MAPT (0.46) | — | |
| SCHEMBL25865911 | 0.62 | SHBG (0.53) | — | |
| SCHEMBL6681496 | 0.61 | TAAR1 (0.50) | — | |
| SCHEMBL3694612 | 0.60 | CNR2 (0.42) | — | |
| SCHEMBL7097159 | 0.58 | CNR2 (0.47) | — | |
| SCHEMBL2849373 | 0.58 | CES2 (0.42) | — |
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-20230183583-A1 | 2-ISO-ALKYL-2-(4-HYDROXYPHENYL)PROPANE DERIVATIVES USED AS EMULSION BREAKERS FOR CRUDE OIL | SAUDI ARABIAN OIL COMPANY (SA) | 2023-06-15 | — | — | US | disclosed |