⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20787017 | 0.73 | TDP1 (0.33) | — | |
| SCHEMBL2079147 | 0.73 | — | — | |
| SCHEMBL4448362 | 0.72 | — | — | |
| SCHEMBL2681250 | 0.72 | — | — | |
| SCHEMBL2682411 | 0.72 | — | — | |
| SCHEMBL10899246 | 0.72 | — | — | |
| SCHEMBL11429716 | 0.72 | — | — | |
| SCHEMBL21004857 | 0.70 | — | — | |
| SCHEMBL16652572 | 0.67 | — | — | |
| SCHEMBL6266965 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3109355-A | — | — | None | — | — | JP | disclosed |
| JP-H03109355-A | PRODUCTION OF 2,2,5,5-TETRAMETHYLCYCLOPENTANE CARBOXYLIC ACID DERIVATIVE AND INTERMEDIATE THEREOF | KYOWA HAKKO KOGYO CO LTD | 1991-05-09 | — | — | JP | disclosed |
| US-4847390-A | CHEMICAL INTERMEDIATE FOR ARTIFICIAL SWEETENER | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1989-07-11 | — | — | US | disclosed |
| US-4795831-A | Cyclopentane derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1989-01-03 | — | — | US | disclosed |
| EP-0196461-A2 | Cyclopentane derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1986-10-08 | — | — | EP | disclosed |