⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12886418 | 0.75 | — | — | |
| SCHEMBL14197561 | 0.71 | — | — | |
| SCHEMBL575706 | 0.69 | — | — | |
| SCHEMBL25951947 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL6593338 | 0.69 | — | — | |
| SCHEMBL12869246 | 0.69 | AR (0.32) | — | |
| Hydrochloric Acid SCHEMBL28134498 | 0.69 | — | — | |
| SCHEMBL27717285 | 0.69 | — | — | |
| SCHEMBL20902532 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL20902488 | 0.67 | TSHR (0.30) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113683531-B | Method for preparing perfluoronitrile by pyrolysis and fluorination | 化学与精细化工广东省实验室 | 2023-10-27 | — | — | CN | claimed |
| CN-113683531-A | Method for preparing perfluoronitrile by pyrolysis fluorination | 化学与精细化工广东省实验室 | 2021-11-23 | — | — | CN | claimed |
| CN-113683531-B | Method for preparing perfluoronitrile by pyrolysis and fluorination | 化学与精细化工广东省实验室 | 2023-10-27 | — | — | CN | disclosed |
| CN-113683531-A | Method for preparing perfluoronitrile by pyrolysis fluorination | 化学与精细化工广东省实验室 | 2021-11-23 | — | — | CN | disclosed |
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-20 | — | — | US | disclosed |
| US-8304403-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-06 | — | — | US | disclosed |
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |
| US-20100267669-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-10-21 | — | — | US | disclosed |
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| WO-2007062314-A2 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |