⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29463955 | 0.75 | — | — | |
| SCHEMBL9748590 | 0.74 | — | — | |
| SCHEMBL4884653 | 0.74 | — | — | |
| SCHEMBL5251362 | 0.73 | — | — | |
| Ethane SCHEMBL21591807 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL2898011 | 0.69 | — | — | |
| SCHEMBL6541912 | 0.67 | — | — | |
| SCHEMBL10301289 | 0.67 | — | — | |
| Boric Acid SCHEMBL28649819 | 0.67 | — | — | |
| SCHEMBL21315579 | 0.65 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0321841-B1 | ESTER URETHANE (MET)ACRYLIC-ACID DERIVATIVES | BAYER AG (DE) | 1993-04-14 | — | — | EP | claimed |
| EP-0302341-B1 | ISOCYANATO-ACYL URETHANES, THEIR PREPARATION AND USE | BAYER AG (DE) | 1992-05-06 | — | — | EP | claimed |
| EP-0394759-A1 | Process for the preparation of prepolymers containing ester- and isocyanate groups and their use as a binder | BAYER AG (DE) | 1990-10-31 | — | — | EP | claimed |
| EP-0321841-A2 | Ester urethane (met)acrylic-acid derivatives | BAYER AG (DE) | 1989-06-28 | — | — | EP | claimed |
| EP-0263481-A2 | Process for the preparation of isocyanates | BAYER AG (DE) | 1988-04-13 | — | — | EP | claimed |
| EP-3092215-A1 | CYCLOHEXYL SULFONE ROR MODULATORS | Bristol-Myers Squibb Company (US) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015103507-A1 | CYCLOHEXYL SULFONE RORϒ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-09 | — | — | WO | disclosed |
| EP-1203780-A1 | Isocyanates bearing amino groups | BAYER AG (DE) | 2002-05-08 | — | — | EP | disclosed |
| EP-0471251-B1 | Use of ester groups containing polyisocyanates as hot melt adhesive | BAYER AG (DE) | 1995-05-10 | — | — | EP | disclosed |
| EP-0412380-B1 | Polyisocyanates or mixtures of polyisocyanates with estergroups, a process for the preparation of such isocyanates or such mixtures of polyisocyanates and their utilization for polyurethane lacquers | BAYER AG (DE) | 1993-10-27 | — | — | EP | disclosed |
| EP-0321841-B1 | ESTER URETHANE (MET)ACRYLIC-ACID DERIVATIVES | BAYER AG (DE) | 1993-04-14 | — | — | EP | disclosed |
| EP-0302341-B1 | ISOCYANATO-ACYL URETHANES, THEIR PREPARATION AND USE | BAYER AG (DE) | 1992-05-06 | — | — | EP | disclosed |
| EP-0412380-A1 | Polyisocyanates or mixtures of polyisocyanates with estergroups, a process for the preparation of such isocyanates or such mixtures of polyisocyanates and their utilization for polyurethane lacquers | BAYER AG (DE) | 1991-02-13 | — | — | EP | disclosed |
| EP-0394759-A1 | Process for the preparation of prepolymers containing ester- and isocyanate groups and their use as a binder | BAYER AG (DE) | 1990-10-31 | — | — | EP | disclosed |
| EP-0321841-A2 | Ester urethane (met)acrylic-acid derivatives | BAYER AG (DE) | 1989-06-28 | — | — | EP | disclosed |
| EP-0307757-A2 | Process for the production of polyurethanes with LC-properties and diisocyanates suitable for carrying out this process | BAYER AG (DE) | 1989-03-22 | — | — | EP | disclosed |
| EP-0307756-A2 | Process for the preparation of isocyanates and their use in the preparation of polyisocyanates containing ester groups, and some polyisocyanates containing these ester groups | BAYER AG (DE) | 1989-03-22 | — | — | EP | disclosed |
| EP-0302341-A2 | Isocyanato-acyl urethanes, their preparation and use | BAYER AG (DE) | 1989-02-08 | — | — | EP | disclosed |
| US-4746754-A | Preparation of carbonate diisocyanates and related compounds | THE DOW CHEMICAL COMPANY (US) | 1988-05-24 | — | — | US | disclosed |
| EP-0263481-A2 | Process for the preparation of isocyanates | BAYER AG (DE) | 1988-04-13 | — | — | EP | disclosed |