SCHEMBL999101

SCHEMBL999101

[C-]#[N+]c1ccc(F)cc1

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
SCHEMBL13010938 1.00
Hydrochloric Acid SCHEMBL8350544 0.97 CA1 (0.36)
SCHEMBL12130686 0.82 HDAC3 (0.38)
SCHEMBL13499 0.71
SCHEMBL323825 0.69 ALDH1A1 (0.43)
SCHEMBL8326732 0.69
SCHEMBL997985 0.69
SCHEMBL325454 0.69
SCHEMBL1106601 0.69
SCHEMBL2921977 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120049017-A Org/ZnSO4Electrolyte, preparation method thereof and application of electrolyte in secondary battery 同济大学 2025-05-27 CN claimed
CN-120004697-A Preparation method of OrgVO material and application of OrgVO material as secondary battery anode material 同济大学 2025-05-16 CN claimed
WO-2023033890-A1 NITROGEN-CONTAINING COMPOUNDS AS ADDITIVES FOR SILICON-BASED LI-ION BATTERIES ENEVATE CORPORATION (US) 2023-03-09 WO claimed
CN-120049017-A Org/ZnSO4Electrolyte, preparation method thereof and application of electrolyte in secondary battery 同济大学 2025-05-27 CN disclosed
CN-120004697-A Preparation method of OrgVO material and application of OrgVO material as secondary battery anode material 同济大学 2025-05-16 CN disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11918575-B2 PZA and cytochrome Bc1 inhibitor combination treatment Janssen Sciences Ireland Unlimited Company (IE) 2024-03-05 US disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11795171-B2 Pyrrolotriazinones and imidazotriazinones as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2023-10-24 US disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-20040063947-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2004-04-01 US disclosed
US-6620937-B2 Annulation, cyclization UNIVERSITY OF PITTSBURGH 2003-09-16 US disclosed
US-6376676-B1 CAPROLACTAM COMPOUND UNIVERSITY OF PITTSBURGH 2002-04-23 US disclosed
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-11 US disclosed
US-6252079-B1 CYCLIZATION OF CHEMICAL INTERMEDIATE; REACTING WITH ARYL ISONITRILE UNIVERSITY OF PITTSBURGH 2001-06-26 US disclosed
US-6239278-B1 Intermediates in the synthesis of (±)-camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2001-05-29 US disclosed
US-6211371-B1 REACTING AN ARYL ISONIRILE WITH AN ISOQUINOLIN-1-ONE COMPOUND UNIVERSITY OF PITTSBURGH 2001-04-03 US disclosed
US-6034243-A Intermediates in the synthesis of (±)-camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH (US) 2000-03-07 US disclosed
US-5744605-A ANNULATION; CYCLIZATION UNIVERSITY OF PITTSBURGH (US) 1998-04-28 US disclosed