⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11655643 | 0.71 | — | — | |
| SCHEMBL15017494 | 0.67 | — | — | |
| SCHEMBL874834 | 0.67 | — | — | |
| SCHEMBL440820 | 0.67 | — | — | |
| SCHEMBL9901730 | 0.67 | — | — | |
| SCHEMBL19209088 | 0.62 | — | — | |
| SCHEMBL8036160 | 0.55 | — | — | |
| SCHEMBL3657593 | 0.53 | — | — | |
| SCHEMBL329462 | 0.47 | — | — | |
| SCHEMBL6718535 | 0.47 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3554637-A1 | SPIROPIPERIDINE DERIVATIVES | 89Bio Ltd. (IL) | 2019-10-23 | — | — | EP | disclosed |
| WO-2018112204-A1 | SPIROPIPERIDINE DERIVATIVES | CEPHALON, INC. (US) | 2018-06-21 | — | — | WO | disclosed |
| EP-3013810-A1 | CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS | Lupin Limited (IN) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014207648-A1 | CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS | LUPIN LIMITED (IN) | 2014-12-31 | — | — | WO | disclosed |
| EP-2324032-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |