⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9658944 | 0.77 | — | — | |
| SCHEMBL9540991 | 0.72 | — | — | |
| SCHEMBL14775314 | 0.70 | — | — | |
| SCHEMBL6560451 | 0.68 | — | — | |
| SCHEMBL27696601 | 0.67 | — | — | |
| SCHEMBL1637783 | 0.66 | — | — | |
| SCHEMBL1980202 | 0.64 | — | — | |
| SCHEMBL3721406 | 0.64 | — | — | |
| SCHEMBL28660686 | 0.64 | — | — | |
| SCHEMBL27937457 | 0.63 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115707651-A | Method for preparing nano carbon spheres based on medium-low temperature coal tar and nano carbon spheres | 中国科学院大连化学物理研究所 | 2023-02-21 | — | — | CN | disclosed |
| US-5563148-A | BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS | ELI LILLY AND COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0307172-B1 | Improvements in or relating to specific 5-HT3 antagonists | LILLY CO ELI (US) | 1995-10-11 | — | — | EP | disclosed |
| US-5442078-A | Intermediates for specific 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1995-08-15 | — | — | US | disclosed |
| US-5364863-A | Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders | ELI LILLY AND COMPANY (US) | 1994-11-15 | — | — | US | disclosed |
| CN-1020102-C | Process for producing bicyclic carboxylic acid ester and bicyclic carboxamide | EIL LILLY & CO (US) | 1993-03-17 | — | — | CN | disclosed |
| US-4997956-A | Analgesics | ELI LILLY AND COMPANY (US) | 1991-03-05 | — | — | US | disclosed |
| US-4921982-A | 5-halo-2,3-dihydro-2,2-dimethylbenzofuran-7-carboxylic acids useful as intermediates for 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1990-05-01 | — | — | US | disclosed |
| CN-1031841-A | The improvement of special 5-HT3 antagonist | LILLY CO ELI (US) | 1989-03-22 | — | — | CN | disclosed |
| EP-0307172-A2 | Improvements in or relating to specific 5-HT3 antagonists | ELI LILLY AND COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |