⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL447751 | 0.75 | NOS3 (0.34) | — | |
| SCHEMBL1273831 | 0.75 | NOS3 (0.43) | — | |
| SCHEMBL3091903 | 0.75 | NOS3 (0.34) | — | |
| SCHEMBL60763 | 0.68 | — | — | |
| SCHEMBL29861109 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL23326973 | 0.67 | TRPA1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL29459702 | 0.67 | TRPA1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7530965 | 0.67 | TRPA1 (0.43) | — | |
| Iodide SCHEMBL16149430 | 0.67 | TRPA1 (0.43) | — | |
| Bromide SCHEMBL30099792 | 0.67 | TRPA1 (0.43) | — |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150368197-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES OF THE LUNG | RADIKAL THERAPEUTICS INC. | 2015-12-24 | — | — | US | claimed |
| US-8889716-B2 | Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2014-11-18 | — | — | US | claimed |
| US-8551999-B2 | Heterocyclic compound and pharmaceutical composition thereof | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-10-08 | — | — | US | claimed |
| US-20120302539-A1 | TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. | 2012-11-29 | — | — | US | claimed |
| EP-2207773-B1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMA CO LTD (JP) | 2012-07-11 | — | — | EP | claimed |
| US-20100261720-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-10-14 | — | — | US | claimed |
| EP-2207773-A2 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | Otsuka Pharmaceutical Co., Ltd. (JP) | 2010-07-21 | — | — | EP | claimed |
| US-7557130-B2 | Bicyclic heteroaromatic alanines | UCB PHARMA, S.A. (BE) | 2009-07-07 | — | — | US | claimed |
| WO-2009057811-A2 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-05-07 | — | — | WO | claimed |
| US-20040209913-A1 | e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. | UCB PHARMA S.A. (BE) | 2004-10-21 | — | — | US | claimed |
| US-20040133008-A1 | Amide compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-07-08 | — | — | US | claimed |
| WO-2004039795-A2 | AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-05-13 | — | — | WO | claimed |
| WO-2003011815-A1 | BICYCLIC HETEROAROMATIC ALANINES | CELLTECH R & D LIMITED (GB) | 2003-02-13 | — | — | WO | claimed |
| US-5374416-A | Nitrogenous macrocyclic ligands, polymetallic complexes and diagnostic and therapeutic composition | GUERBET S.A. (FR) | 1994-12-20 | — | — | US | claimed |
| CN-118076602-A | Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses | 嘉兴优博生物技术有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117203196-A | PDE4 degrading agents, pharmaceutical compositions and therapeutic applications | 拜欧斯瑞克斯公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-110770211-B | Alpha, beta unsaturated amide compound | 协和麒麟株式会社 | 2023-09-19 | — | — | CN | disclosed |
| US-6051722-A | PRECURSOR FOR POLYIMIDE COPOLYMER; USABLE IN OPTICAL LONG-DISTANCE COMMUNICATION, SIGNAL PROCESSING, PHOTOELECTRIC HYBRID CIRCUITS AND OPTICAL COMPUTERS | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2000-04-18 | — | — | US | disclosed |
| US-5834575-A | POLYIMIDE OR POLYACRYLATE WITH PENDANT GROUP CONTAINING THIOPHENE RING, BENZENE RING AND VICINAL NITRILE GROUPS, SWITCHES FOR OPTICAL SIGNALS, COMMUNICATION TECHNOLOGY | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| US-5374416-A | Nitrogenous macrocyclic ligands, polymetallic complexes and diagnostic and therapeutic composition | GUERBET S.A. (FR) | 1994-12-20 | — | — | US | disclosed |