⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1755595 | 0.75 | — | — | |
| SCHEMBL18160818 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL3075815 | 0.73 | — | — | |
| SCHEMBL9615264 | 0.72 | EPHX1 (0.46) | — | |
| SCHEMBL19302719 | 0.72 | — | — | |
| SCHEMBL7966730 | 0.71 | — | — | |
| SCHEMBL4438063 | 0.71 | — | — | |
| Ethylamine SCHEMBL11659087 | 0.71 | — | — | |
| SCHEMBL8861968 | 0.71 | — | — | |
| SCHEMBL1266953 | 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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140357654-A1 | METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP | AESTUS THERAPEUTICS, INC. (US) | 2014-12-04 | — | — | US | disclosed |
| EP-2775840-A1 | METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF 4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP | Aestus Therapeutics, Inc. (US) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013070842-A1 | METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF α4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP | AESTUS THERAPEUTICS, INC. (US) | 2013-05-16 | — | — | WO | disclosed |
| US-20110034495-A1 | Method of Modulating Stress-Activated Protein Kinase System | INTERMUNE, INC. (US) | 2011-02-10 | — | — | US | disclosed |
| US-7786177-B2 | Phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2010-08-31 | — | — | US | disclosed |
| US-7763729-B2 | Bicyclic heteroaromatic derivatives | UCB PHARMA S.A. (BE) | 2010-07-27 | — | — | US | disclosed |
| US-7645770-B2 | Phenylalanine enamide derivatives | UCB PHARMA S.A. (BE) | 2010-01-12 | — | — | US | disclosed |
| US-7592455-B2 | Bicyclic heteroaromatic compounds as kinase inhibitors | UCB PHARMA S.A. (BE) | 2009-09-22 | — | — | US | disclosed |
| US-20090186914-A1 | Phenylalanine Enamide Derivatives | UCB PHARMA, S.A. (BE) | 2009-07-23 | — | — | US | disclosed |
| US-7557130-B2 | Bicyclic heteroaromatic alanines | UCB PHARMA, S.A. (BE) | 2009-07-07 | — | — | US | disclosed |
| WO-2000073260-A1 | SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES | CELLTECH R&D LIMITED (GB) | 2000-12-07 | — | — | WO | disclosed |
| EP-1044215-A1 | ANTI-INFLAMMATORY PHENYLALANINE DERIVATIVES | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-10-18 | — | — | EP | disclosed |
| US-6110945-A | AN ANTIINFLAMMATORY AGENT INHIBITING THE BINDING OF INTEGRINS TO THEIR LIGANDS; IN THE PROPHYLAXIS FOR TREATING IMMUNE OR INFLAMMATORY DISORDERS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-08-29 | — | — | US | disclosed |
| WO-2000031067-A1 | PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-02 | — | — | WO | disclosed |
| WO-2000020396-A1 | PHENYLALKANOIC ACID DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-04-13 | — | — | WO | disclosed |
| WO-2000018760-A1 | 1,3-BENZODIAZEPINES WITH INTEGRIN INHIBITORY ACTIVITY FOR USE IN THE TREATMENT OF INFLAMMATORY DISORDERS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-04-06 | — | — | WO | disclosed |
| WO-2000018759-A1 | PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-04-06 | — | — | WO | disclosed |
| WO-1999035163-A1 | PHENYLALANINE DERIVATIVES | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-07-15 | — | — | WO | disclosed |
| US-5864043-A | CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST | KARL THOMAE GMBH (DE) | 1999-01-26 | — | — | US | disclosed |
| US-5541229-A | ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | DR. KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |