⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6147291 | 1.00 | — | — | |
| SCHEMBL9112213 | 0.97 | — | — | |
| SCHEMBL3430672 | 0.97 | — | — | |
| SCHEMBL9114332 | 0.80 | — | — | |
| SCHEMBL9114340 | 0.80 | — | — | |
| SCHEMBL9112246 | 0.77 | — | — | |
| SCHEMBL9112253 | 0.77 | — | — | |
| SCHEMBL6149867 | 0.71 | — | — | |
| SCHEMBL6443027 | 0.71 | — | — | |
| SCHEMBL6443029 | 0.71 | — | — |
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-8735590-B2 | Bicyclo-heptan-2-amines | ADEJARE ADEBOYE (US) | 2014-05-27 | — | — | US | claimed |
| US-8735590-B2 | Bicyclo-heptan-2-amines | ADEJARE ADEBOYE (US) | 2014-05-27 | — | — | US | disclosed |
| US-20120190710-A1 | BICYCLO-HEPTAN-2-AMINES | Adeboye Adejare (US) | 2012-07-26 | — | — | US | disclosed |
| US-20050143391-A1 | Heterocyclic amides with alpha-4 integrin antagonist activity | J. Uriach Y Compañia S.A. (ES) | 2005-06-30 | — | — | US | disclosed |
| EP-1495044-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. Uriach y Compania S.A. (ES) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003084984-A1 | HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY | J. URIACH Y COMPANIA S.A. (ES) | 2003-10-16 | — | — | WO | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |