⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12890453 | 0.76 | TYR (0.45) | — | |
| SCHEMBL2170914 | 0.76 | — | — | |
| SCHEMBL259247 | 0.73 | — | — | |
| SCHEMBL13681839 | 0.73 | L3MBTL1 (0.61) | — | |
| SCHEMBL22335003 | 0.71 | — | — | |
| SCHEMBL17900187 | 0.71 | — | — | |
| SCHEMBL7280181 | 0.71 | — | — | |
| SCHEMBL11451781 | 0.71 | — | — | |
| SCHEMBL708465 | 0.70 | NPC1 (0.45) | — | |
| SCHEMBL706986 | 0.70 | L3MBTL1 (0.44) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116217590-A | Spiro compound, preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-06 | — | — | CN | disclosed |
| CN-102414168-B | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD | 2014-05-21 | — | — | CN | disclosed |
| CN-102414168-A | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD | 2012-04-11 | — | — | CN | disclosed |
| US-8088766-B2 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ARRAY BIOPHARMA INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-7893020-B2 | can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide | MPEX PHARMACEUTICALS, INC. (US) | 2011-02-22 | — | — | US | disclosed |
| US-7488823-B2 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ARRAY BIOPHARMA, INC. (US) | 2009-02-10 | — | — | US | disclosed |
| US-20090012290-A1 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ARRAY BIOPHARMA, INC. (US) | 2009-01-08 | — | — | US | disclosed |
| EP-1567506-A4 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ARRAY BIOPHARMA INC (US) | 2007-06-20 | — | — | EP | disclosed |
| EP-1567506-A2 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | Array Biopharma, Inc. (US) | 2005-08-31 | — | — | EP | disclosed |
| US-20050101617-A1 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ARRAY BIOPHARMA, INC. | 2005-05-12 | — | — | US | disclosed |
| WO-2004046101-A2 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ARRAY BIOPHARMA, INC. (US) | 2004-06-03 | — | — | WO | disclosed |
| CN-1134444-C | Epothilone analogs and pharmaceutical compositions thereof | 普罗格特-甘布尔公司 | 2004-01-14 | — | — | CN | disclosed |
| CN-1246862-A | Epothilone analogs | NOVARTIS AG (CH) | 2000-03-08 | — | — | CN | disclosed |