⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8670105 | 0.94 | ADH1B (0.32) | — | |
| SCHEMBL3166187 | 0.92 | ADH1B (0.36) | — | |
| SCHEMBL2359513 | 0.92 | ADH1B (0.36) | — | |
| SCHEMBL3137204 | 0.89 | ADH1B (0.39) | — | |
| SCHEMBL5463726 | 0.88 | — | — | |
| SCHEMBL4653000 | 0.88 | ADH1B (0.32) | — | |
| SCHEMBL4655256 | 0.88 | — | — | |
| SCHEMBL4654343 | 0.86 | ADH1B (0.36) | — | |
| SCHEMBL11407090 | 0.86 | ADH1B (0.36) | — | |
| SCHEMBL10528749 | 0.86 | ADH1B (0.36) | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951244-A2 | CALCILYTIC COMPOUNDS | SmithKline Beecham Corporation (US) | 2008-08-06 | — | — | EP | claimed |
| WO-2007062370-A2 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | claimed |
| EP-1828143-B1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2013-03-20 | — | — | EP | disclosed |
| EP-2558460-A1 | TRIAZOLE-SUBSTITUTED ANTHRANILIC ACID AMIDES AS PESTICIDES | Bayer CropScience AG (DE) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128329-A1 | TRIAZOLE-SUBSTITUTED ANTHRANILIC ACID AMIDES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2011-10-20 | — | — | WO | disclosed |
| US-7943649-B2 | 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors | MERCK FROSST CANADA LTD. (CA) | 2011-05-17 | — | — | US | disclosed |
| US-7659294-B2 | 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists | MERCK & CO., INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090286772-A1 | 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles | MERCK & CO., INC. | 2009-11-19 | — | — | US | disclosed |
| US-7605171-B2 | (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists | MERCK & CO., INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1828143-A4 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2009-08-26 | — | — | EP | disclosed |
| US-20090192158-A1 | Methods for Treating or Preventing Neoplasias | MERCK FROSST CANADA LTD. (CA) | 2009-07-30 | — | — | US | disclosed |
| EP-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2007059610-A1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007059611-A1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062370-A2 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-31 | — | — | WO | disclosed |
| US-20070043010-A1 | Quinazoline derivatives | ASTRAZENECA UK LIMITED (GB) | 2007-02-22 | — | — | US | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2006063466-A1 | 2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |