⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887697 | 0.81 | APLNR (0.33) | — | |
| SCHEMBL17187444 | 0.75 | — | — | |
| SCHEMBL2404479 | 0.74 | — | — | |
| SCHEMBL2352644 | 0.72 | — | — | |
| SCHEMBL9127468 | 0.70 | SLC22A1 (0.30) | — | |
| SCHEMBL24030722 | 0.67 | EPHX1 (0.36) | — | |
| SCHEMBL18291462 | 0.67 | HSD11B1 (0.33) | — | |
| SCHEMBL20034873 | 0.67 | — | — | |
| SCHEMBL5907203 | 0.67 | APLNR (0.30) | — | |
| SCHEMBL6572505 | 0.67 | EPHX1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020103381-A1 | Method for the synthesis of pyrazolines | CHEMRX ADVANCED TECHNOLOGIES, INC. | 2002-08-01 | — | — | US | claimed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | claimed |
| WO-2001016116-A1 | PROCESS FOR SYNTHESIZING ISOXAZOLINES AND ISOXAZOLES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-03-08 | — | — | WO | claimed |
| WO-2001016115-A1 | PROCESS FOR SYNTHESIZING ISOXAZOLIDINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-03-08 | — | — | WO | claimed |
| US-20020103381-A1 | Method for the synthesis of pyrazolines | CHEMRX ADVANCED TECHNOLOGIES, INC. | 2002-08-01 | — | — | US | disclosed |
| WO-2001040193-A1 | METHOD FOR THE SYNTHESIS OF PYRAZOLINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-06-07 | — | — | WO | disclosed |
| WO-2001016116-A1 | PROCESS FOR SYNTHESIZING ISOXAZOLINES AND ISOXAZOLES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-03-08 | — | — | WO | disclosed |
| WO-2001016115-A1 | PROCESS FOR SYNTHESIZING ISOXAZOLIDINES | CHEMRX ADVANCED TECHNOLOGIES, INC. (US) | 2001-03-08 | — | — | WO | disclosed |