SCHEMBL539979

SCHEMBL539979

CCC(C)(C)N=C=O

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
SCHEMBL13512602 0.79
SCHEMBL8763473 0.79 TSHR (0.32)
SCHEMBL7872197 0.79 TSHR (0.32)
SCHEMBL9323168 0.78
SCHEMBL17117091 0.78
SCHEMBL9913337 0.77
SCHEMBL5702380 0.77 TSHR (0.32)
SCHEMBL18245458 0.75 TSHR (0.35)
SCHEMBL1394370 0.74
SCHEMBL5450077 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051268-A1 METHOD FOR PREPARING ISOCYANATE BY MEANS OF GAS-PHASE SOLVENT-FREE METHOD MOJIA (SHANGHAI) BIOTECH CO., LTD. (CN) 2025-02-13 US claimed
WO-2024007204-A1 METHOD FOR PREPARING ISOCYANATE BY COMBINING SUPERCRITICAL PHOSGENATION METHOD WITH PIPING METHOD 摩珈(上海)生物科技有限公司 2024-01-11 WO claimed
CN-113105364-B Method and system for producing isocyanates 广安摩珈生物科技有限公司 2023-08-08 CN claimed
WO-2023108620-A1 METHOD FOR PREPARING ISOCYANATE BY MEANS OF GAS-PHASE SOLVENT-FREE METHOD 摩珈(上海)生物科技有限公司 2023-06-22 WO claimed
CN-115108942-A Method for preparing isocyanate by supercritical phosgenation reaction 摩珈(上海)生物科技有限公司 2022-09-27 CN claimed
CN-115093348-A Method for preparing isocyanate by pipeline phosgene method 摩珈(上海)生物科技有限公司 2022-09-23 CN claimed
CN-115043758-A Method for preparing isocyanate by combining supercritical phosgenation method with pipelining method 摩珈(上海)生物科技有限公司 2022-09-13 CN claimed
WO-2025040153-A1 METHOD FOR PREPARING ISOCYANATE AND DEVICE 摩珈(上海)生物科技有限公司 2025-02-27 WO disclosed
US-20250051268-A1 METHOD FOR PREPARING ISOCYANATE BY MEANS OF GAS-PHASE SOLVENT-FREE METHOD MOJIA (SHANGHAI) BIOTECH CO., LTD. (CN) 2025-02-13 US disclosed
WO-2024007204-A1 METHOD FOR PREPARING ISOCYANATE BY COMBINING SUPERCRITICAL PHOSGENATION METHOD WITH PIPING METHOD 摩珈(上海)生物科技有限公司 2024-01-11 WO disclosed
CN-115108942-B Method for preparing isocyanate by supercritical phosgenation reaction 摩珈(上海)生物科技有限公司 2023-10-27 CN disclosed
CN-115043758-B Method for preparing isocyanate by combining supercritical phosgenation method and pipelining method 摩珈(上海)生物科技有限公司 2023-10-27 CN disclosed
CN-115093348-B Method for preparing isocyanate by pipeline phosgene method 摩珈(上海)生物科技有限公司 2023-10-27 CN disclosed
US-4855504-A Process for producing higher molecular weight amino compounds having reduced monomeric amine content BAYER AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed
EP-0178525-A2 Process for the preparation of high molecular weight amino compounds with lowered amine monomer content as well as their use BAYER AG (DE) 1986-04-23 EP disclosed
EP-0025907-B1 HALOGENATED TERTIARY ALKYL ISOCYANATES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed
US-4344891-A Halogenated tertiary alkyl isocyanates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0025907-A1 Halogenated tertiary alkyl isocyanates and process for their preparation BASF Aktiengesellschaft (DE) 1981-04-01 EP disclosed
US-4224238-A Process for preparing tertiary alkyl isocyanates SHOWA DENKO K.K. (JP) 1980-09-23 US disclosed
US-4156738-A Ureidonitriles useful as antihypertensives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-05-29 US disclosed