⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL706065 | 0.75 | CHRM1 (0.35) | — | |
| SCHEMBL1246327 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL288304 | 0.73 | — | — | |
| SCHEMBL2408674 | 0.71 | — | — | |
| SCHEMBL28755822 | 0.71 | — | — | |
| SCHEMBL7858145 | 0.71 | — | — | |
| SCHEMBL5015054 | 0.71 | — | — | |
| SCHEMBL11409878 | 0.69 | — | — | |
| SCHEMBL17187336 | 0.69 | — | — | |
| SCHEMBL3842318 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458468-A1 | STEROID 6.7.BETA.-EPOXIDES AS CHEMICAL INTERMEDIATES | NZP UK Limited (GB) | 2019-03-27 | — | — | EP | disclosed |
| WO-2017199039-A1 | STEROID 6.7.BETA.-EPOXIDES AS CHEMICAL INTERMEDIATES | NZP UK Limited (GB) | 2017-11-23 | — | — | WO | disclosed |
| EP-2120965-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | Novabay Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| EP-1956907-A2 | CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS | BASF SE (DE) | 2008-08-20 | — | — | EP | disclosed |
| WO-2008083347-A1 | N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES | NOVABAY PHARMACEUTICALS, INC. (US) | 2008-07-10 | — | — | WO | disclosed |
| WO-2007060220-A2 | CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS | BASF SE (DE) | 2007-05-31 | — | — | WO | disclosed |
| EP-1097160-A4 | PREPARATION AND USE OF ALPHA-KETO BISPHOSPHONATES | UNIV SOUTHERN CALIFORNIA (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1097160-A1 | PREPARATION AND USE OF ALPHA-KETO BISPHOSPHONATES | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002889-A1 | PREPARATION AND USE OF α-KETO BISPHOSPHONATES | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2000-01-20 | — | — | WO | disclosed |