⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2502257 | 0.82 | — | — | |
| SCHEMBL25422696 | 0.66 | — | — | |
| SCHEMBL22471674 | 0.64 | — | — | |
| SCHEMBL2408554 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL5567656 | 0.63 | — | — | |
| SCHEMBL604266 | 0.61 | TYMP (0.40) | — | |
| SCHEMBL15048839 | 0.61 | TYMP (0.40) | — | |
| SCHEMBL12520638 | 0.58 | JAK2 (0.30) | — | |
| SCHEMBL122933 | 0.57 | — | — | |
| SCHEMBL1109730 | 0.57 | TYMP (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1593683-A2 | Dihydro-2,3-Benzodiazepine derivatives | ELI LILLY AND COMPANY (US) | 2005-11-09 | — | — | EP | disclosed |
| EP-1157992-B1 | Dihydro-2,3-Benzodiazepine derivatives | LILLY CO ELI (US) | 2005-08-24 | — | — | EP | disclosed |
| EP-0699677-B1 | Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives | LILLY CO ELI (US) | 2003-01-29 | — | — | EP | disclosed |
| EP-0771198-B1 | DIHYDRO-2,3-BENZODIAZEPINE DERIVATIVES | LILLY CO ELI (US) | 2002-02-06 | — | — | EP | disclosed |
| EP-1157992-A1 | Dihydro-2,3-Benzodiazepine derivatives | ELI LILLY AND COMPANY (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6160133-A | Synthesis of (S)-α-methyl-1,3-benzodioxole-5-ethanol and derivatives | ELI LILLY AND COMPANY (US) | 2000-12-12 | — | — | US | disclosed |
| US-5986114-A | MUSCLE RELAXANTS, NERVOUS SYSTEM DISORDERS OR ANTICONVULSANTS | ELI LILLY AND COMPANY (US) | 1999-11-16 | — | — | US | disclosed |
| US-5919954-A | CYCLIZATION OF CHEMICAL INTERMEDIATES; HIGH ENANTIOMORPHIC PURITY | ELI LILLY AND COMPANY (US) | 1999-07-06 | — | — | US | disclosed |
| US-5795886-A | ANTICONVULSANTS | ELI LILLY AND COMPANY (US) | 1998-08-18 | — | — | US | disclosed |
| US-5665878-A | Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives | ELI LILLY AND COMPANY (US) | 1997-09-09 | — | — | US | disclosed |
| WO-1996006606-A1 | DIHYDRO-2,3-BENZODIAZEPINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1996-03-07 | — | — | WO | disclosed |
| EP-0699677-A1 | Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives | ELI LILLY AND COMPANY (US) | 1996-03-06 | — | — | EP | disclosed |