⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4541317 | 0.96 | — | — | |
| SCHEMBL15541311 | 0.96 | TSHR (0.57) | — | |
| SCHEMBL1414393 | 0.96 | — | — | |
| SCHEMBL30324 | 0.96 | — | — | |
| SCHEMBL5575885 | 0.92 | TSHR (0.61) | — | |
| SCHEMBL5575653 | 0.92 | TSHR (0.61) | — | |
| SCHEMBL5574727 | 0.92 | TSHR (0.61) | — | |
| SCHEMBL562180 | 0.92 | TSHR (0.61) | — | |
| SCHEMBL20526164 | 0.92 | TSHR (0.61) | — | |
| SCHEMBL20610088 | 0.92 | TSHR (0.61) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102325747-B | Process for preparing 2-aminobiphenylene compounds | BASF SE | 2015-01-07 | — | — | CN | disclosed |
| CN-102325747-A | Process for preparing 2-aminobiphenylene compounds | BASF SE | 2012-01-18 | — | — | CN | disclosed |
| CN-1231212-C | Polycyclic compounds that inhibit VLA-4 mediated leukocyte adhesion | ELAN PHARM INC (US) | 2005-12-14 | — | — | CN | disclosed |
| US-6436962-B1 | ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF | MERCK & CO., INC. | 2002-08-20 | — | — | US | disclosed |
| CN-1346350-A | Compounds that inhibit VLA-4 mediated leukocyte adhesion | ELAN PHARM INC (US) | 2002-04-24 | — | — | CN | disclosed |
| CN-1344247-A | Polycyclic compounds that inhibit VLA-4 mediated leukocyte adhesion | ELAN PHARM INC (US) | 2002-04-10 | — | — | CN | disclosed |
| CN-1336921-A | Fused ring heteroaryl and heterocyclic compounds that inhibit VLA-4 mediated leukocyte adhesion | ELAN PHARM INC (US) | 2002-02-20 | — | — | CN | disclosed |
| US-6339090-B1 | FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2002-01-15 | — | — | US | disclosed |
| US-6316437-B1 | ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. | 2001-11-13 | — | — | US | disclosed |
| CN-1265670-A | Dipeptides and related compounds that inhibit VLA-4 mediated leukocyte adhesion | ELAND PHARMACEUTICALS CO (US) | 2000-09-06 | — | — | CN | disclosed |
| WO-2000006565-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-02-10 | — | — | WO | disclosed |