⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9459858 | 0.85 | — | — | |
| SCHEMBL11062438 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL9714485 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL11063061 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL11059153 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL5246659 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL10618530 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL5420729 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL11059361 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL11062914 | 0.81 | ALDH1A1 (0.46) | — |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2623087-B1 | Dental composite materials containing tricyclic plasticisers | VOCO GMBH (DE) | 2019-07-17 | — | — | EP | disclosed |
| EP-2623086-B1 | Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. | VOCO GMBH (DE) | 2019-07-10 | — | — | EP | disclosed |
| EP-2405750-B1 | COMBINATION THERAPY WITH THIOCOLCHICINE DERIVATIVES | ABRAXIS BIOSCIENCE LLC (US) | 2018-05-09 | — | — | EP | disclosed |
| US-20170105951-A1 | COMBINATION THERAPY WITH THIOCOLCHICINE DERIVATIVES | ABRAXIS BIOSCIENCE, LLC | 2017-04-20 | — | — | US | disclosed |
| US-9314408-B2 | Dental composite materials comprising tricyclic plasticizers | VOCO GMBH (DE) | 2016-04-19 | — | — | US | disclosed |
| US-20130203884-A1 | DENTAL COMPOSITE MATERIALS COMPRISING TRICYCLIC PLASTICIZERS | VOCO GMBH (DE) | 2013-08-08 | — | — | US | disclosed |
| EP-2623087-A2 | Dental composite materials containing tricyclic plasticisers | VOCO GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| EP-2623086-A2 | Curable mixture comprising plasticisers with a polyalicyclic structure element for use in the production of dental materials. | VOCO GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| US-20120189701-A1 | COMBINATION THERAPY WITH THIOCOLCHICINE DERIVATIVES | ABRAXIS BIOSCIENCE, LLC | 2012-07-26 | — | — | US | disclosed |
| CN-102427728-A | Combination therapy with thiocolchicine derivatives | ABRAXIS BIOSCIENCE LLC | 2012-04-25 | — | — | CN | 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 |
| US-4946990-A | CHEMICAL INTERMEDIATE FOR THE PRODUCTION OF POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-07 | — | — | US | disclosed |
| US-4895920-A | ISOCYANATES WITH AT LEAST TWO PHENYLENE GROUPS AND AT LEAST TWO ESTER GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-23 | — | — | US | disclosed |
| US-4886902-A | HEATING POLYISOCYANATE AND AMINE WITH SILYLATED HYDROXYL GROUP; REACTING ISOCYANATE-ACID HALIDE WITH PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-12 | — | — | US | disclosed |
| US-4870198-A | SILYLATED ALCOHOL OR CARBOXYL GROUPS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-26 | — | — | US | 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 |
| US-4745212-A | ESTERIFICATION OR AMIDATION OF ISOCYANATOCARBOXYL CHLORIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-17 | — | — | US | disclosed |
| EP-0263481-A2 | Process for the preparation of isocyanates | BAYER AG (DE) | 1988-04-13 | — | — | EP | disclosed |
| US-4448816-A | N-ISOCYANTOALKANOYL SUBSTITUTED CYCLIC UREAS USED IN POLYURETHANE COATINGS | THE UPJOHN COMPANY (US) | 1984-05-15 | — | — | US | disclosed |