⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270298 | 0.78 | — | — | |
| SCHEMBL8620772 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL344477 | 0.75 | — | — | |
| SCHEMBL75925 | 0.72 | TSHR (0.59) | — | |
| SCHEMBL5185774 | 0.72 | TSHR (0.59) | — | |
| SCHEMBL12081199 | 0.72 | TSHR (0.59) | — | |
| SCHEMBL5029019 | 0.72 | TSHR (0.59) | — | |
| SCHEMBL8150185 | 0.71 | — | — | |
| SCHEMBL9122569 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL11911960 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112533951-A | anti-MSR 1 antibodies and methods of use thereof | 里珍纳龙药品有限公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-108295073-B | Polyfluoro compounds as bruton's tyrosine kinase inhibitors | 浙江导明医药科技有限公司 | 2020-06-16 | — | — | CN | disclosed |
| EP-1490341-A1 | NOVEL ADAMANTANE DERIVATIVES | AstraZeneca AB (SE) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003080579-A1 | NOVEL ADAMANTANE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-10-02 | — | — | WO | disclosed |
| US-3996373-A | 2,3-Dihydro-1H-dibenz[e,g]isoindole compounds | CIBA-GEIGY CORPORATION (US) | 1976-12-07 | — | — | US | disclosed |