⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1444391 | 0.79 | — | — | |
| SCHEMBL742184 | 0.77 | — | — | |
| SCHEMBL17028993 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL7221571 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL7228223 | 0.66 | — | — | |
| SCHEMBL972040 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL13629843 | 0.60 | — | — | |
| SCHEMBL972112 | 0.59 | — | — | |
| SCHEMBL1669191 | 0.59 | KDM1A (0.49) | — | |
| SCHEMBL1381778 | 0.59 | — | — |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7479496-B2 | Substituted spiro azabicyclics as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-20 | — | — | US | claimed |
| US-20050197325-A1 | Substituted spiro azabicyclics as modulators of chemokine receptor activity | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-08 | — | — | US | claimed |
| CN-1423648-A | 1-(H-1,2,4-triazol-1-yl) butan-2-ol derivatives | BASILEA PHARMACEUTICA AG (CH) | 2003-06-11 | — | — | CN | claimed |
| EP-1286988-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | Basilea Pharmaceutica AG (CH) | 2003-03-05 | — | — | EP | claimed |
| US-20010047017-A1 | Azole derivatives | HOFFMANN-LA ROCHE, INC. | 2001-11-29 | — | — | US | claimed |
| US-6319933-B1 | 1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives; fungicides | BASILEA PHARMACEUTICA AG (CH) | 2001-11-20 | — | — | US | claimed |
| WO-2001079196-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-10-25 | — | — | WO | claimed |
| CN-102947311-B | 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators | HOFFMAN-LA ROCHE LTD. (CH) | 2015-11-25 | — | — | CN | disclosed |
| CN-102007118-B | Pyrrolidinone glucokinase activators | HOFFMANN LA ROCHE | 2014-12-31 | — | — | CN | disclosed |
| CN-102007116-B | Pyridazinone glucokinase activators | HOFFMAN-LA ROCHE LTD. (CH) | 2014-10-22 | — | — | 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 |
| US-8563714-B2 | Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-10-22 | — | — | US | disclosed |
| EP-2432760-B1 | BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-07-17 | — | — | EP | disclosed |
| US-6319933-B1 | 1-(1H-1,2,4-triazol-1-yl)butan-2-ol derivatives; fungicides | BASILEA PHARMACEUTICA AG (CH) | 2001-11-20 | — | — | US | disclosed |
| WO-2001079196-A2 | 1-(H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2001-10-25 | — | — | WO | disclosed |
| US-6262103-B1 | ALZHEIMER'S DISEASE. | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-17 | — | — | US | disclosed |
| US-6143773-A | Substituted thienobenzisoxazole derivatives for enhancing cognition | MERCK SHARP & DOHME LIMITED (GB) | 2000-11-07 | — | — | US | disclosed |
| WO-1999062899-A1 | TETRAHYDROINDOLONE DERIVATIVES AS GABAAALPHA5 LIGANDS FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |
| EP-0937072-A1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME LTD. (GB) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998018792-A1 | THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE | MERCK SHARP & DOHME LIMITED (GB) | 1998-05-07 | — | — | WO | disclosed |