⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4335791 | 0.76 | CA1 (0.50) | — | |
| SCHEMBL20211 | 0.72 | — | — | |
| Ethane SCHEMBL9044715 | 0.69 | — | — | |
| Methane SCHEMBL9047974 | 0.69 | — | — | |
| SCHEMBL6124940 | 0.69 | — | — | |
| SCHEMBL2234705 | 0.69 | CA1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL12469062 | 0.69 | — | — | |
| SCHEMBL14941648 | 0.69 | CA1 (0.44) | — | |
| SCHEMBL1788631 | 0.67 | — | — | |
| SCHEMBL9115546 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022091048-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2022-05-05 | — | — | WO | disclosed |
| CN-107629057-B | BET protein inhibitor and application thereof | 上海勋和医药科技有限公司 | 2020-03-27 | — | — | CN | disclosed |
| EP-0905202-B1 | PHOTOSTABILIZED CYANINE DYES AND OPTICAL RECORDING MEDIUM | TDK CORP (JP) | 2003-03-19 | — | — | EP | disclosed |
| US-6071672-A | QUATERNARY CYANINE DYE SALT WITH SUBSTITUTED BENZENEDITHIOL METAL COMPLEX ANION; COMPACT DISKS | TDK CORPORATION (JP) | 2000-06-06 | — | — | US | disclosed |
| EP-0905202-A1 | PHOTOSTABILIZED CYANINE DYES AND OPTICAL RECORDING MEDIUM | TDK Corporation (JP) | 1999-03-31 | — | — | EP | disclosed |
| US-5369123-A | Anticholesterol agents, treatment of atherosclerosis, antilipidemic agents and treatment of hyperlipoproteinaemia | E. R. SQUIBB & SONS, INC. (US) | 1994-11-29 | — | — | US | disclosed |