⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL294326 | 0.83 | NOS2 (0.39) | — | |
| SCHEMBL2234183 | 0.78 | HRH3 (0.44) | — | |
| SCHEMBL2643568 | 0.77 | — | — | |
| SCHEMBL31279599 | 0.76 | NOS3 (0.61) | — | |
| SCHEMBL218290 | 0.76 | NOS3 (0.61) | — | |
| SCHEMBL913143 | 0.76 | NOS3 (0.61) | — | |
| SCHEMBL11563922 | 0.74 | NOS3 (0.59) | — | |
| SCHEMBL29371239 | 0.74 | — | — | |
| SCHEMBL212981 | 0.74 | — | — | |
| SCHEMBL9971064 | 0.74 | NOS3 (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049490-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | Astra Zeneca AB (SE) | 2009-04-22 | — | — | EP | disclosed |
| US-20090062267-A1 | L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2009-03-05 | — | — | US | disclosed |
| WO-2008125811-A1 | N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-10-23 | — | — | WO | disclosed |
| US-20080255183-A1 | N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008093064-A1 | L-ALANINE DERIVATIVES AS α5 BETA 1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| WO-2008093065-A1 | L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| US-20080182842-A1 | L-alanine derivatives as a5beta1 antagonists | ASTRAZENECA AB (SE) | 2008-07-31 | — | — | US | disclosed |
| US-20080045521-A1 | PHENYLALANINE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| WO-2007141473-A1 | N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS | ASTRAZENECA AB (SE) | 2007-12-13 | — | — | WO | disclosed |