⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6165436 | 1.00 | — | — | |
| SCHEMBL14355619 | 0.80 | THRB (0.33) | — | |
| SCHEMBL27280953 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL3822361 | 0.77 | THRB (0.32) | — | |
| SCHEMBL21572859 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL10462000 | 0.76 | THRB (0.33) | — | |
| SCHEMBL7812563 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL21572858 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL1077904 | 0.74 | GLO1 (0.48) | — | |
| SCHEMBL8282623 | 0.74 | GLO1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0939632-B1 | NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS | LILLY CO ELI (US) | 2005-10-05 | — | — | EP | disclosed |
| US-6610680-B1 | Administering as adjuncts in heart failure or as antithrombotic agents, treatment of obsessive-compulsive disorder, aggressive disorders, depression and anxiety | ELI LILLY AND COMPANY | 2003-08-26 | — | — | US | disclosed |
| US-6521611-B2 | 2-(azetidin-2-on-1-yl) acetic acid derivatives; treatment of obsessive-compulsive disorder | ELI LILLY AND COMPANY | 2003-02-18 | — | — | US | disclosed |
| US-20020049187-A1 | Non-peptidyl vasopressin V1a antagonists | BRUNS ROBERT F (US) | 2002-04-25 | — | — | US | disclosed |
| US-6204260-B1 | 2-(AZETIDIN-2-ON-1-YL)ACETIC ACID DERIVATIVES | ELI LILLY AND COMPANY | 2001-03-20 | — | — | US | disclosed |