⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL92676 | 1.00 | — | — | |
| SCHEMBL1521339 | 1.00 | — | — | |
| Bicarbonate SCHEMBL14991400 | 0.91 | AKR1B1 (0.39) | — | |
| SCHEMBL4451314 | 0.83 | HIF1A (0.39) | — | |
| SCHEMBL1922150 | 0.75 | — | — | |
| SCHEMBL27263515 | 0.75 | — | — | |
| Isobutyraldehyde SCHEMBL176051 | 0.73 | TSHR (0.60) | — | |
| SCHEMBL2913691 | 0.73 | AKR1B1 (0.40) | — | |
| SCHEMBL6439082 | 0.72 | — | — | |
| SCHEMBL3401523 | 0.72 | TSHR (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023194992-A1 | RETINAL GRAFT AND METHOD OF PREPARATION | PRECISE BIO 3D LTD (IL) | 2023-10-12 | — | — | WO | claimed |
| WO-2020251953-A1 | STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-12-17 | — | — | WO | disclosed |
| US-20200165640-A1 | FRUCTOSE-6-PHOSPHATE ALDOLASE VARIANTS FOR ALDOL CARBOLIGATIONS | SUSTAINABLE MOMENTUM, S.L. (ES) | 2020-05-28 | — | — | US | disclosed |
| US-7759374-B2 | 12,13-desoxyepothilones, used as anticarcinogenic agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2010-07-20 | — | — | US | disclosed |
| US-7700783-B2 | Synthesis of discodermolide and variants thereof | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2010-04-20 | — | — | US | disclosed |
| WO-2008109737-A1 | SUBSTITUTED PHENOXY AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-12 | — | — | WO | disclosed |
| US-20070015260-A1 | Synthesis of synthons for the manufacture of bioactive compounds | DIVERSA CORPORATION | 2007-01-18 | — | — | US | disclosed |
| US-20070015260-A1 | Synthesis of synthons for the manufacture of bioactive compounds | DIVERSA CORPORATION | 2007-01-18 | — | — | US | disclosed |