⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724329 | 0.78 | — | — | |
| SCHEMBL19033169 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL5732950 | 0.69 | — | — | |
| SCHEMBL723303 | 0.69 | — | — | |
| SCHEMBL11109483 | 0.68 | ALOX5 (0.33) | — | |
| SCHEMBL1133394 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL18976634 | 0.63 | MEN1 (0.35) | — | |
| SCHEMBL7466861 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL8653745 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL9644556 | 0.63 | ALDH1A1 (0.35) | — |
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-0286991-B1 | PROCESS FOR PREPARING FLUORINE-SUBSTITUTED ALICYCLIC DIOLS | DAIKIN INDUSTRIES, LIMITED (JP) | 1993-08-18 | — | — | EP | disclosed |
| US-4873375-A | Process for preparing fluorine-substituted alicyclic diol | DAIKIN INDUSTRIES, LTD. (JP) | 1989-10-10 | — | — | US | disclosed |
| US-4771113-A | INCREASED OXIDATIVE, MECHANICAL AND THERMAL STABILITY | ALLIED CORPORATION (US) | 1988-09-13 | — | — | US | disclosed |
| US-4757118-A | Thermosettable modified phenolic polyester imide resins | ALLIED CORPORATION (US) | 1988-07-12 | — | — | US | disclosed |