⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6547319 | 0.81 | — | — | |
| SCHEMBL6546909 | 0.76 | CYP2D6 (0.34) | — | |
| SCHEMBL27564196 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6546726 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL11294413 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL6548012 | 0.71 | — | — | |
| SCHEMBL1785041 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL1785876 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL28706593 | 0.69 | — | — | |
| SCHEMBL11390622 | 0.68 | MMP2 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717098-B1 | A refrigerating machine oil and a fluid composition for use in a refrigerating machine | NIPPON MITSUBISHI OIL CORP (JP) | 2004-01-21 | — | — | EP | disclosed |
| US-5817251-A | AROMATIC HYDROCARBON LUBRICANT | NIPPON OIL CO., LTD. (JP) | 1998-10-06 | — | — | US | disclosed |
| US-5711895-A | Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group | NIPPON OIL CO., LTD. (JP) | 1998-01-27 | — | — | US | disclosed |
| EP-0717098-A2 | A refrigerating machine oil and a fluid composition for use in a refrigerating machine | NIPPON OIL CO. LTD. (JP) | 1996-06-19 | — | — | EP | disclosed |