⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2153425 | 1.00 | — | — | |
| SCHEMBL36038 | 1.00 | — | — | |
| Water SCHEMBL251200 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL9551986 | 0.97 | TSHR (0.54) | — | |
| Propylene Glycol SCHEMBL3314707 | 0.93 | TSHR (0.50) | — | |
| Ether SCHEMBL22472247 | 0.89 | TSHR (0.47) | — | |
| SCHEMBL10713824 | 0.82 | TSHR (0.45) | — | |
| Isobutanol SCHEMBL28050779 | 0.80 | TSHR (0.48) | — | |
| Water SCHEMBL8211970 | 0.80 | TSHR (0.44) | — | |
| SCHEMBL10331178 | 0.80 | TSHR (0.58) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2860175-B1 | METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF | TACURION (US) | 2017-11-29 | — | — | EP | disclosed |
| US-20170152536-A1 | METHOD FOR TRANSFORMING LEVOGLUCOSENONE INTO 4-HYDROXYMETHYN BUTYROLACTONE OR 4-HYDROXYMETHYL BUTENOLIDE | INSTITUT DES SCIENCES ET INDUSTRIES DU VIVANT ET DE L'ENVIRONNEMENT (FR) | 2017-06-01 | — | — | US | disclosed |
| US-20170152536-A1 | METHOD FOR TRANSFORMING LEVOGLUCOSENONE INTO 4-HYDROXYMETHYN BUTYROLACTONE OR 4-HYDROXYMETHYL BUTENOLIDE | INSTITUT DES SCIENCES ET INDUSTRIES DU VIVANT ET DE L'ENVIRONNEMENT (FR) | 2017-06-01 | — | — | US | disclosed |
| EP-1832658-B1 | Method for producing optically acitve secondary alcohols from ketones employing an adsorbed carbonyl reductase activity | WACKER CHEMIE AG (DE) | 2011-07-06 | — | — | EP | disclosed |
| US-20070212766-A1 | METHOD FOR THE ENZYMATIC PRODUCTION OF CHIRAL ALCOHOLS | WACKER CHEMIE AG | 2007-09-13 | — | — | US | disclosed |
| EP-1832658-A1 | Method for producing optically acitve secondary alcohols from ketones employing an adsorbed carbonyl reductase activity | Wacker Chemie AG (DE) | 2007-09-12 | — | — | EP | disclosed |
| US-20070042475-A1 | Method for the enzymatic production of chiral 1-acylated 1,2-diols | CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2007-02-22 | — | — | US | disclosed |
| EP-1754791-A1 | Method for the enzymatic production of chiral 1-acylated 1,2 diols | Consortium für elektrochemische Industrie GmbH (DE) | 2007-02-21 | — | — | EP | disclosed |
| US-4937367-A | Process for the preparation of intermediates for the synthesis of fosfomycin | ZAMBON GROUP S.P.A. (IT) | 1990-06-26 | — | — | US | disclosed |