⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16687387 | 0.82 | CA1 (0.33) | — | |
| SCHEMBL3319030 | 0.78 | CES2 (0.32) | — | |
| SCHEMBL29071226 | 0.77 | ALOX15 (0.33) | — | |
| SCHEMBL21642870 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL2487490 | 0.72 | KDM1A (0.39) | — | |
| SCHEMBL31045668 | 0.71 | CHEK1 (0.32) | — | |
| SCHEMBL1507770 | 0.70 | — | — | |
| SCHEMBL3318185 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL20090384 | 0.69 | KDM1A (0.36) | — | |
| SCHEMBL9894129 | 0.67 | IRAK4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150315127-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2015-11-05 | — | — | US | disclosed |
| US-20150315127-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2015-11-05 | — | — | US | disclosed |
| US-20150315127-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2015-11-05 | — | — | US | disclosed |
| US-9024071-B2 | Therapeutic compounds | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2015-05-05 | — | — | US | disclosed |
| US-9024071-B2 | Therapeutic compounds | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2015-05-05 | — | — | US | disclosed |