⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14199900 | 0.76 | — | — | |
| SCHEMBL17544507 | 0.69 | GRM5 (0.35) | — | |
| SCHEMBL20236047 | 0.67 | PKM (0.30) | — | |
| SCHEMBL65108 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.64 | — | — | |
| SCHEMBL8404454 | 0.63 | — | — | |
| SCHEMBL22494204 | 0.62 | — | — | |
| SCHEMBL5668931 | 0.62 | — | — | |
| SCHEMBL1040746 | 0.62 | NOTUM (0.32) | — | |
| SCHEMBL2852145 | 0.62 | NOTUM (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2968275-A1 | LXR MODULATORS | Bristol-Myers Squibb Company (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014144037-A1 | LXR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-18 | — | — | WO | disclosed |
| EP-0599265-A1 | Antibacterial, antifungal compound and its production method | Takeda Chemical Industries, Ltd. (JP) | 1994-06-01 | — | — | EP | disclosed |