⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7369074 | 0.79 | — | — | |
| SCHEMBL188205 | 0.75 | — | — | |
| SCHEMBL10693998 | 0.75 | — | — | |
| SCHEMBL29458062 | 0.72 | — | — | |
| SCHEMBL29549758 | 0.72 | CYP3A4 (1.00) | — | |
| SCHEMBL23924225 | 0.72 | CYP3A4 (1.00) | — | |
| SCHEMBL29365557 | 0.72 | CYP3A4 (1.00) | — | |
| SCHEMBL104560 | 0.72 | — | — | |
| SCHEMBL593274 | 0.72 | — | — | |
| SCHEMBL29458056 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109748780-A | The synthetic method of a kind of four poly- benzyl compounds | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | claimed |
| CN-109748780-A | The synthetic method of a kind of four poly- benzyl compounds | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| CN-100471838-C | VLA-4 inhibitors | DAIICHI SEIYAKU CO (JP) | 2009-03-25 | — | — | CN | disclosed |
| CN-100396680-C | Vla-4 inhibitors | DAICHI PHARMACEUTICAL CO LTD (JP) | 2008-06-25 | — | — | CN | disclosed |
| US-20060069098-A1 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-03-30 | — | — | US | disclosed |
| CN-1699363-A | Vla-4 inhibitors | DAICHI PHARMACEUTICAL CO LTD (JP) | 2005-11-23 | — | — | CN | disclosed |
| CN-1483024-A | Vla-4 inhibitors | ��һ��������ҩ��ʽ���� | 2004-03-17 | — | — | CN | disclosed |