SCHEMBL828821

SCHEMBL828821

N=C(N)NCO

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 SCHEMBL5531662 0.97
Bicarbonate SCHEMBL28662856 0.88 CYP2C19 (0.33)
SCHEMBL944395 0.76
SCHEMBL3079040 0.74 CYP1A2 (0.48)
SCHEMBL5950548 0.74
SCHEMBL2241290 0.73
Hydrochloric Acid SCHEMBL11403921 0.71 MEN1 (0.46)
SCHEMBL14598291 0.71
SCHEMBL348669 0.71
Hydrochloric Acid SCHEMBL17022785 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115895567-B Low-density flame-retardant heat-conducting polyurethane structural adhesive and preparation method thereof 广东德聚技术股份有限公司 2023-12-05 CN claimed
CN-116855240-A Double-effect fracturing fluid capable of rapidly breaking gel and increasing holes at low temperature and preparation method and application thereof 中国地质大学(北京) 2023-10-10 CN claimed
CN-115895567-A Low-density flame-retardant heat-conducting polyurethane structural adhesive and preparation method thereof 东莞市德聚胶接技术有限公司 2023-04-04 CN claimed
CN-106608876-B A kind of preparation method of high-purity Pa Boxini 新发药业有限公司 2018-06-19 CN claimed
CN-106608876-A Preparation method of high-purity palbociclib 新发药业有限公司 2017-05-03 CN claimed
CN-104230899-A Ethyl prosulfuron as well as preparation method and application thereof NIE SHIBAO 2014-12-24 CN claimed
US-4292417-A CROSSLINKED SULFATED POLYETHER DAICEL LTD. (JP) 1981-09-29 US claimed
JP-1131008-A None JP disclosed
JP-1098692-A None JP disclosed
JP-63008206-A None JP disclosed
JP-11350385-A None JP disclosed
EP-3505569-B1 DEALCOHOLIZATION ROOM-TEMPERATURE CURABLE ORGANOPOLYSILOXANE COMPOSITION, AND ARTICLE SEALED BY CURED PRODUCT OF SAME SHINETSU CHEMICAL CO (JP) 2025-09-17 EP disclosed
CN-120044752-A Photosensitive resin composition 东京应化工业株式会社 2025-05-27 CN disclosed
JP-H0198692-A FLAMEPROOFING AGENT COMPOSITION SANYO CHEM IND LTD 1989-04-17 JP disclosed
JP-S638206-A PRODUCTION OF ALUMINUM NITRIDE MITSUI TOATSU CHEM INC 1988-01-14 JP disclosed
US-4478932-A IRRADIATING AND HEATING POLYVINYL ALCOHOL, THERMOSETTING POLYMETHYLOL CROSSLINKING AGENT, AND POLYARYL IODONIUM OR SULFONIUM COMPLEX CATALYST GENERAL ELECTRIC COMPANY (US) 1984-10-23 US disclosed
EP-0088180-A1 N-phosphonomethylglycine derivatives Geshuri Laboratories Ltd. (IL) 1983-09-14 EP disclosed
US-4397676-A HERBICIDES GESHURI LABORATORIES LTD. (IL) 1983-08-09 US disclosed
US-4125575-A Phosphonylated amides COMPAGNIE FRANCAISE DE PRODUITS INDUSTRIELS (FR) 1978-11-14 US disclosed
US-4052158-A CATALYTIC FREE RADICAL POLYMERIZATION, CURING STAUFFER CHEMICAL COMPANY (US) 1977-10-04 US disclosed