⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27598724 | 1.00 | MAOB (0.58) | — | |
| SCHEMBL15849 | 1.00 | — | — | |
| Benzene SCHEMBL27781010 | 1.00 | MAOB (0.58) | — | |
| SCHEMBL147849 | 1.00 | — | — | |
| SCHEMBL14725095 | 1.00 | — | — | |
| Phosphine SCHEMBL28781526 | 0.97 | MAOB (0.55) | — | |
| SCHEMBL28750263 | 0.97 | MAOB (0.55) | — | |
| SCHEMBL27472274 | 0.97 | MAOB (0.55) | — | |
| SCHEMBL10895465 | 0.97 | MAOB (0.55) | — | |
| Methane SCHEMBL27513199 | 0.97 | MAOB (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10017458-B2 | Therapeutic tetrahydronaphthalene compounds | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-07-10 | — | — | 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-20120149693-A1 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| EP-2427183-A2 | THERAPEUTIC COMPOUNDS | University of Florida Research Foundation, Inc. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129048-A2 | THERAPEUTIC COMPOUNDS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2010-11-11 | — | — | WO | disclosed |