⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4483305 | 1.00 | — | — | |
| SCHEMBL21741223 | 0.85 | — | — | |
| SCHEMBL12969434 | 0.82 | — | — | |
| SCHEMBL13611714 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL11245383 | 0.80 | IAPP (0.39) | — | |
| SCHEMBL11245384 | 0.80 | IAPP (0.39) | — | |
| SCHEMBL12313034 | 0.80 | TDP1 (0.36) | — | |
| SCHEMBL17037874 | 0.79 | — | — | |
| SCHEMBL15586369 | 0.77 | — | — | |
| SCHEMBL3419635 | 0.77 | ALDH1A1 (0.48) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4449987-A | HYDROCARBON WAS, A METHYL HEPTENONE; COUMARIN AND INDOLE | AVON PRODUCTS, INC. (US) | 1984-05-22 | — | — | US | claimed |
| US-11746111-B2 | Siderophore conjugated pyrazolidinones, and analogues thereof | YALE UNIVERSITY (US) | 2023-09-05 | — | — | US | disclosed |
| EP-3141546-A1 | INHIBITOR OF BRUTON'S TYROSINE KINASE | Centaurus Biopharma Co., Ltd. (CN) | 2017-03-15 | — | — | EP | disclosed |
| WO-2014145214-A2 | INHIBITORS OF PRMT5 AND METHODS OF THEIR USE | OHIO STATE INNOVATION FOUNDATION (US) | 2014-09-18 | — | — | WO | disclosed |
| US-7592463-B2 | An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-09-22 | — | — | US | disclosed |
| EP-1461320-B1 | ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS | CALIFORNIA INST OF TECHN (US) | 2008-04-09 | — | — | EP | disclosed |
| EP-1461320-A4 | ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS | CALIFORNIA INST OF TECHN (US) | 2004-12-08 | — | — | EP | disclosed |
| EP-1461320-A2 | ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20030220507-A1 | Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2003-11-27 | — | — | US | disclosed |
| WO-2003047740-A2 | ENANTIOSELECTIVE TRANSFORMATION OF α,β-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2003-06-12 | — | — | WO | disclosed |
| US-4449987-A | HYDROCARBON WAS, A METHYL HEPTENONE; COUMARIN AND INDOLE | AVON PRODUCTS, INC. (US) | 1984-05-22 | — | — | US | disclosed |