SCHEMBL1661146

SCHEMBL1661146

NCCc1ccncn1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3725860 0.98 HRH1 (0.52)
SCHEMBL7033451 0.87 HRH1 (0.48)
SCHEMBL29263652 0.84 HRH1 (0.59)
SCHEMBL11813336 0.84 HRH1 (0.59)
SCHEMBL244702 0.81
Hydrochloric Acid SCHEMBL2752883 0.79 HSP90AA1 (0.46)
Hydrochloric Acid SCHEMBL2302848 0.79
SCHEMBL6794972 0.78 GFER (0.52)
SCHEMBL11361045 0.77
SCHEMBL9573114 0.77

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277164-A1 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2012-11-01 US claimed
EP-2491051-A2 GADD45BETA TARGETING AGENTS Imperial Innovations Limited (GB) 2012-08-29 EP claimed
WO-2011048390-A2 GADD45BETA TARGETING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-04-28 WO claimed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
EP-1089809-B1 POLYURETHANE DISPERSANTS LUBRIZOL CORP (US) 2006-10-18 EP disclosed
CN-1215900-C Polyurethane dispersants LOUBORUN CORP (US) 2005-08-24 CN disclosed
US-6509409-B1 A dispersant comprising the addition product of a polyisocyanate having an average functionality of from 2 to 10 and one or more poly(oxyalkylene carbonyl) chains (POAC chain) such as those containing a POAC chain derived from AVECIA LIMITED (GB) 2003-01-21 US disclosed
CN-1308560-A Polyurethane dispersants AVECIA LTD (GB) 2001-08-15 CN disclosed
EP-1089809-A1 POLYURETHANE DISPERSANTS Avecia Limited (GB) 2001-04-11 EP disclosed
WO-1999056864-A1 POLYURETHANE DISPERSANTS AVECIA LIMITED (GB) 1999-11-11 WO disclosed
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed