⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12936106 | 1.00 | — | — | |
| SCHEMBL13649859 | 1.00 | — | — | |
| SCHEMBL6822222 | 1.00 | — | — | |
| SCHEMBL1867589 | 1.00 | — | — | |
| SCHEMBL5868538 | 0.85 | TRPA1 (0.40) | — | |
| SCHEMBL171016 | 0.85 | TRPA1 (0.40) | — | |
| SCHEMBL14968375 | 0.85 | TRPA1 (0.40) | — | |
| SCHEMBL359779 | 0.82 | — | — | |
| SCHEMBL1660775 | 0.82 | — | — | |
| SCHEMBL28882900 | 0.82 | TRPA1 (0.50) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3238738-B1 | NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS | ARBUTUS BIOPHARMA CORP (CA) | 2020-09-23 | — | — | EP | disclosed |
| US-20170136024-A1 | INHIBITORS OF E1 ACTIVATING ENZYMES | MILLENNIUM PHARMACEUTICALS, INC. | 2017-05-18 | — | — | US | disclosed |
| US-20140088114-A1 | FUSED BICYCLIC KINASE INHIBITORS | OSI Pharmaceuticals ,LLC | 2014-03-27 | — | — | US | disclosed |
| WO-2011104334-A1 | 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO] THIENO [2, 3 - D] PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-01 | — | — | WO | disclosed |
| US-20110112052-A1 | SPIRO-OXINDOLE MDM2 ANTAGONISTS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-05-12 | — | — | US | disclosed |
| US-20110053873-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-03-03 | — | — | US | disclosed |
| US-20090305998-A1 | HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-10 | — | — | US | disclosed |