⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12064473 | 1.00 | — | — | |
| SCHEMBL8965710 | 1.00 | — | — | |
| SCHEMBL10992813 | 0.87 | — | — | |
| SCHEMBL10730589 | 0.78 | — | — | |
| SCHEMBL7164679 | 0.76 | — | — | |
| SCHEMBL29034685 | 0.76 | — | — | |
| Crotonaldehyde SCHEMBL8058730 | 0.74 | TRPA1 (0.58) | — | |
| Crotonaldehyde SCHEMBL8058728 | 0.74 | TRPA1 (0.58) | — | |
| SCHEMBL11263667 | 0.72 | ALDH1A1 (0.58) | — | |
| SCHEMBL11263673 | 0.72 | ALDH1A1 (0.58) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9505765-B2 | 4-alkoxy/aralkoxy-5-substituted-pyrrolopyrimidine compounds as TAK1 inhibitors in disease treatment | CONFLUENCE LIFE SCIENCES INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20150203499-A1 | 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT | ACLARIS THERAPEUTICS, INC. | 2015-07-23 | — | — | US | disclosed |
| WO-2014018888-A1 | 4-ALKOXY/ARALKOXY-5-SUBSTITUTED-PYRROLOPYRIMIDINE COMPOUNDS AS TAK1 INHIBITORS IN DISEASE TREATMENT | CONFLUENCE LIFE SCIENCES INC. (US) | 2014-01-30 | — | — | WO | disclosed |
| EP-2497475-A1 | Treatment of laminitis with platelet aggregation inhibitors | Dussler, Sabine (DE) | 2012-09-12 | — | — | EP | disclosed |
| EP-2416879-A1 | CYCLIC IMIDATE LIGANDS | Universiteit Gent (BE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010115903-A1 | CYCLIC IMIDATE LIGANDS | UNIVERSITEIT GENT (BE) | 2010-10-14 | — | — | WO | disclosed |
| EP-1000012-A1 | PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-05-17 | — | — | EP | disclosed |
| US-5932745-A | HYDROXYLIC SOLVENT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-03 | — | — | US | disclosed |
| WO-1999006351-A1 | PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-02-11 | — | — | WO | disclosed |
| EP-0490269-B1 | Graft copolymer and process for producing the same | IDEMITSU KOSAN CO (JP) | 1996-02-28 | — | — | EP | disclosed |
| US-5436242-A | Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation | SANKYO COMPANY, LIMITED (JP) | 1995-07-25 | — | — | US | disclosed |
| US-5288726-A | Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation | UBE INDUSTRIES LIMITED (JP) | 1994-02-22 | — | — | US | disclosed |
| US-5250629-A | Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts | IDEMITSU KOSAN CO., LTD. (JP) | 1993-10-05 | — | — | US | disclosed |
| EP-0542411-A2 | Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation | Sankyo Company Limited (JP) | 1993-05-19 | — | — | EP | disclosed |
| EP-0490269-A1 | Graft copolymer and process for producing the same | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1992-06-17 | — | — | EP | disclosed |
| US-4390724-A | Process for the preparation of 3-formyl-4-R2 R3 -but-3-ene-1-oic acids | ROUSSEL UCLAF (FR) | 1983-06-28 | — | — | US | disclosed |
| US-4382037-A | 3-Formyl-4-methyl-pentanoic acids | ROUSSEL UCLAF (FR) | 1983-05-03 | — | — | US | disclosed |
| EP-0041927-A1 | Corrosion inhibiting compositions | CIBA-GEIGY AG (CH) | 1981-12-16 | — | — | EP | disclosed |