⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8809949 | 0.83 | — | — | |
| SCHEMBL22031661 | 0.79 | — | — | |
| SCHEMBL5324166 | 0.76 | — | — | |
| SCHEMBL7121982 | 0.66 | — | — | |
| SCHEMBL10686044 | 0.65 | — | — | |
| SCHEMBL4596370 | 0.65 | — | — | |
| SCHEMBL1307382 | 0.63 | — | — | |
| SCHEMBL4390587 | 0.63 | — | — | |
| SCHEMBL15623074 | 0.63 | — | — | |
| SCHEMBL20377245 | 0.62 | ALDH1A1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012150606-A2 | A PROCESS FOR PREPARING STABLE POLYMOPHIC FORM OF ERLOTINIB HYDROCHLORIDE | CADILA HEALTHCARE LIMITED (IN) | 2012-11-08 | — | — | WO | disclosed |
| WO-2007138612-A3 | A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4- YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE | VITTAL MALLYA SCIENT RES FOUND (IN) | 2009-04-16 | — | — | WO | disclosed |
| WO-2007138613-A3 | A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE | VITTAL MALLYA SCIENT RES FOUND (IN) | 2009-04-16 | — | — | WO | disclosed |
| WO-2007138612-A2 | A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4- YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE | VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) | 2007-12-06 | — | — | WO | disclosed |
| WO-2007138613-A2 | A PROCESS FOR SYNTHESIS OF [6,7-BIS-(2-METHOXYETHOXY)-QUINAZOLIN-4-YL]-(3-ETHYNYLPHENYL)AMINE HYDROCHLORIDE | VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) | 2007-12-06 | — | — | WO | disclosed |