⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27441244 | 0.95 | ALDH1A1 (0.45) | — | |
| SCHEMBL31522116 | 0.93 | ALDH1A1 (0.58) | — | |
| SCHEMBL15028760 | 0.91 | ALDH1A1 (0.61) | — | |
| SCHEMBL27441223 | 0.91 | ALDH1A1 (0.56) | — | |
| SCHEMBL14926327 | 0.91 | ALDH1A1 (0.61) | — | |
| SCHEMBL1392323 | 0.87 | ALDH1A1 (0.54) | — | |
| SCHEMBL1710128 | 0.84 | — | — | |
| SCHEMBL27441255 | 0.84 | TSHR (0.39) | — | |
| SCHEMBL1781587 | 0.83 | ALDH1A1 (0.46) | — | |
| SCHEMBL9891379 | 0.83 | 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670166-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-06-06 | — | — | US | disclosed |
| US-9670232-B2 | Molecular precursor compounds for zinc-group 13 mixed oxide materials | TRANSTRON SOLUTIONS LLC (US) | 2017-06-06 | — | — | US | disclosed |
| US-9657015-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-05-23 | — | — | US | disclosed |
| US-9637441-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX, INC. (US) | 2017-05-02 | — | — | US | disclosed |
| EP-3102541-A1 | MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS | TRANSTRON SOLUTIONS LLC (US) | 2016-12-14 | — | — | EP | disclosed |
| US-20160340319-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2016-11-24 | — | — | US | disclosed |
| US-9455142-B2 | Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials | TRANSTRON SOLUTIONS LLC (US) | 2016-09-27 | — | — | US | disclosed |
| US-9404002-B2 | Molecular precursor compounds for indium gallium zinc oxide materials | TRANSTRON SOLUTIONS LLC (US) | 2016-08-02 | — | — | US | disclosed |
| US-9290459-B1 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-03-22 | — | — | US | disclosed |
| US-20160060230-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2016-03-03 | — | — | US | disclosed |
| US-8304427-B2 | Acylthiourea compound or salt thereof, and use thereof | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2012-11-06 | — | — | US | disclosed |
| US-8168654-B2 | Quinuclidine derivatives binding to mucarinic M3 receptors | NOVARTIS AG (CH) | 2012-05-01 | — | — | US | disclosed |
| US-8138272-B2 | Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds | ELAN PHARMACEUTICALS, INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-20110288279-A1 | COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES | AMBRX, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110124880-A1 | COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES | AMBRX, INC. (US) | 2011-05-26 | — | — | US | disclosed |
| US-20110118501-A1 | COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES | AMBRX, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| US-20110118451-A1 | COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES | AMBRX, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| US-7928163-B2 | Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides | AMBRX, INC. (US) | 2011-04-19 | — | — | US | disclosed |
| US-20110034439-A1 | ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2011-02-10 | — | — | US | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |