SCHEMBL445104

SCHEMBL445104

Nc1cnnnc1Cl

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
Sulfuric Acid SCHEMBL27849951 0.78 ALDH1A1 (0.32)
SCHEMBL445993 0.72
SCHEMBL211559 0.72
SCHEMBL8743122 0.70
Fluoride SCHEMBL28215587 0.70
Ammonia Solution, Strong SCHEMBL27781960 0.70
Hydrochloric Acid SCHEMBL8726033 0.70
SCHEMBL9538391 0.70
SCHEMBL3725336 0.68
SCHEMBL524865 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
EP-0167785-B1 REACTIVE DYES BASF Aktiengesellschaft (DE) 1988-08-03 EP claimed
WO-2025226800-A1 IN VIVO CROSSLINKABLE HYDROGELS WITH COVALENTLY ATTACHED DYE FOR MEDICAL APPLICATIONS BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-10-30 WO disclosed
US-20250332292-A1 IN VIVO CROSSLINKABLE HYDROGELS WITH COVALENTLY ATTACHED DYE FOR MEDICAL APPLICATIONS BOSTON SCIENTIFIC SCIMED, INC. (US) 2025-10-30 US disclosed
US-20250171605-A1 CELLULOSE FOAMS FOR HIGH-PERFORMANCE INSULATION WASHINGTON STATE UNIVERSITY (US) 2025-05-29 US disclosed
US-12152120-B2 Cellulose foams for high-performance insulation WASHINGTON STATE UNIVERSITY (US) 2024-11-26 US disclosed
US-20230331949-A1 CELLULOSE FOAMS FOR HIGH-PERFORMANCE INSULATION WASHINGTON STATE UNIVERSITY 2023-10-19 US disclosed
US-11725091-B2 Cellulose foams for high performance insulations WASHINGTON STATE UNIVERSITY (US) 2023-08-15 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
WO-2009003057-A1 DEVICES AND METHODS FOR DECREASING HUMAN PATHOGEN TRANSMISSION FILLIGENT LIMITED (CN) 2008-12-31 WO disclosed
EP-1957644-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2008-08-20 EP disclosed
WO-2007113579-A1 CONTROL OF PH IN THE TREATMENT OF FABRIC U.S.BORAX, INC. (US) 2007-10-11 WO disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 WO disclosed
CN-1697831-A Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS INC (US) 2005-11-16 CN disclosed
CN-1578773-A Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS INC (US) 2005-02-09 CN disclosed
US-4283331-A FIBER-REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1981-08-11 US disclosed
US-4058662-A Process for the substitution of chlorine atoms of cyanuric chloride DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-11-15 US disclosed