⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11806189 | 0.84 | GRIK1 (0.34) | — | |
| SCHEMBL969436 | 0.82 | — | — | |
| SCHEMBL965760 | 0.82 | — | — | |
| SCHEMBL965759 | 0.82 | — | — | |
| SCHEMBL10985538 | 0.80 | — | — | |
| SCHEMBL4797720 | 0.80 | PLG (0.40) | — | |
| SCHEMBL12916614 | 0.80 | — | — | |
| SCHEMBL9261374 | 0.80 | LMNA (0.40) | — | |
| SCHEMBL10985542 | 0.80 | — | — | |
| SCHEMBL9257502 | 0.80 | LMNA (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0412906-A1 | Pesticidal uses of bialaphos | ROUSSEL-UCLAF (FR) | 1991-02-13 | — | — | EP | claimed |
| EP-0847974-B1 | Process for the preparation of cyclopropylacetylene and its derivatives | KURARAY CO (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-5955627-A | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-09-21 | — | — | US | disclosed |
| EP-0847974-A1 | Process for the preparation of cyclopropylacetylene and its derivatives | KURARAY CO., LTD. (JP) | 1998-06-17 | — | — | EP | disclosed |
| EP-0245066-A2 | Method for plant growth regulation | ELI LILLY AND COMPANY (US) | 1987-11-11 | — | — | EP | disclosed |
| US-4704156-A | TRIHALOCYCLOPROPANECARBOXYLIC ACID DERIVATIVES | ELI LILLY AND COMPANY (US) | 1987-11-03 | — | — | US | disclosed |
| US-4102896-A | Preparation of a 5-(2,2-dihalovinyl)-4,4-dimethyl-2-oxotetrahydrofuran | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-07-25 | — | — | US | disclosed |