⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4518990 | 0.69 | — | — | |
| Allyl Alcohol SCHEMBL1332489 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL4940557 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL3782 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL1331425 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL7495069 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL4665160 | 0.64 | — | — | |
| Butadiene SCHEMBL5967512 | 0.64 | TSHR (0.50) | — | |
| Butadiene SCHEMBL545688 | 0.64 | TSHR (0.50) | — | |
| Allyl Alcohol SCHEMBL565195 | 0.64 | — | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9603829-B2 | HSP90 inhibitors with modified toxicity | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2017-03-28 | — | — | US | claimed |
| EP-2190291-B1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | UNIV COLORADO REGENTS (US) | 2015-10-14 | — | — | EP | claimed |
| US-20140315845-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE | 2014-10-23 | — | — | US | claimed |
| US-8551964-B2 | Hsp90 inhibitors with modified toxicity | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2013-10-08 | — | — | US | claimed |
| WO-2013074695-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2013-05-23 | — | — | WO | claimed |
| US-20120022011-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2012-01-26 | — | — | US | claimed |
| EP-2190291-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | The Regents of the University of Colorado (US) | 2010-06-02 | — | — | EP | claimed |
| US-7608611-B2 | Hsp90 inhibitors, methods of making and uses therefor | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-10-27 | — | — | US | claimed |
| EP-1863769-A4 | HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR | UNIV COLORADO (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2009026548-A1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-02-26 | — | — | WO | claimed |
| EP-1863769-A2 | HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR | The Board of Regents of the University of Colorado (US) | 2007-12-12 | — | — | EP | claimed |
| WO-2006098761-A2 | HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2006-09-21 | — | — | WO | claimed |
| US-20060205705-A1 | Hsp90 inhibitors, methods of making and uses therefor | UNIVERSITY OF COLORADO (US) | 2006-09-14 | — | — | US | claimed |
| US-4049557-A | DETERGENTS AND AN ALKANEDIAMINE | COLGATE-PALMOLIVE COMPANY (US) | 1977-09-20 | — | — | US | claimed |
| CN-110015985-B | 2- (alpha-deuterium-alpha-hydroxy-alpha-aryl/alkyl) aza-aromatic hydrocarbon compound and preparation method and application thereof | 河南师范大学 | 2022-05-13 | — | — | CN | disclosed |
| US-9603829-B2 | HSP90 inhibitors with modified toxicity | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2017-03-28 | — | — | US | disclosed |
| EP-2190291-B1 | HSP90 INHIBITORS WITH MODIFIED TOXICITY | UNIV COLORADO REGENTS (US) | 2015-10-14 | — | — | EP | disclosed |
| US-4080384-A | REACTING MONO- OR DI-ALKYLPHOSPHINES WITH PARAFORMALDEHYDE IN AN ORGANIC SOLVENT | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-03-21 | — | — | US | disclosed |
| US-4049557-A | DETERGENTS AND AN ALKANEDIAMINE | COLGATE-PALMOLIVE COMPANY (US) | 1977-09-20 | — | — | US | disclosed |
| US-4028421-A | Production of tertiary (hydroxymethyl)-methylphosphine oxides | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-06-07 | — | — | US | disclosed |