⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9312275 | 0.79 | PKM (0.31) | — | |
| SCHEMBL248540 | 0.77 | — | — | |
| SCHEMBL31487839 | 0.77 | — | — | |
| SCHEMBL5523402 | 0.75 | — | — | |
| SCHEMBL231482 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9313203 | 0.74 | FFAR3 (0.39) | — | |
| SCHEMBL9577974 | 0.74 | — | — | |
| SCHEMBL24261137 | 0.71 | — | — | |
| SCHEMBL17468795 | 0.71 | — | — | |
| SCHEMBL9577989 | 0.70 | TRPA1 (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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5264632-A | Fungicide intermediate | BAYER AKTIENGESELLSCHAFT (DE) | 1993-11-23 | — | — | US | claimed |
| WO-2024026481-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| WO-2024026483-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |
| EP-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |
| US-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |
| US-20160199355-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MAYERS SQUIBB COMPANY (US) | 2016-07-14 | — | — | US | disclosed |
| US-20160158200-A1 | Combinations of Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2016-06-09 | — | — | US | disclosed |
| US-9326973-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-05-03 | — | — | US | disclosed |
| US-20150297568-A1 | Hepatitis C Virus Inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2015-10-22 | — | — | US | disclosed |
| US-20150023913-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2015-01-22 | — | — | US | disclosed |
| US-20130183269-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-18 | — | — | US | disclosed |
| US-5264632-A | Fungicide intermediate | BAYER AKTIENGESELLSCHAFT (DE) | 1993-11-23 | — | — | US | disclosed |
| US-5208388-A | Chemical intermediates for heterocyclic fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-05-04 | — | — | US | disclosed |
| EP-0351647-B1 | 2,2-DIFLUOROCYCLOPROPYL DERIVATES | BAYER AG (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-5095147-A | Intermediates for fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| US-5047415-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-10 | — | — | US | disclosed |
| EP-0351649-A2 | 2,2-Dihalocyclopropyl-hydroxy-ethyl triazoles | BAYER AG (DE) | 1990-01-24 | — | — | EP | disclosed |
| EP-0351647-A2 | 2,2-Difluorocyclopropyl derivates | BAYER AG (DE) | 1990-01-24 | — | — | EP | disclosed |