⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10556192 | 0.75 | — | — | |
| SCHEMBL8513798 | 0.75 | — | — | |
| SCHEMBL8513795 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL992082 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL992081 | 0.73 | — | — | |
| SCHEMBL21654105 | 0.70 | CHRM5 (0.33) | — | |
| SCHEMBL27743701 | 0.70 | — | — | |
| SCHEMBL21654006 | 0.70 | PRKACA (0.32) | — | |
| SCHEMBL29738510 | 0.70 | PRKACA (0.32) | — | |
| SCHEMBL27731405 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105237464-B | It is used to prepare the improved method of 2- [(2E) -2- fluoro- 2- (3- piperidylidenes) ethyl] -1H- iso-indoles -1,3 (2H)-diketone | 詹森药业有限公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-103827087-B | Improved process for the preparation of 2- [ (2E) -2-fluoro-2- (3-piperidylidene) ethyl ] -1H-isoindole-1, 3(2H) -dione | 詹森药业有限公司 | 2016-08-17 | — | — | CN | disclosed |