SCHEMBL944236

SCHEMBL944236

NCC1(O)CCCC1

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
SCHEMBL56742 0.97
SCHEMBL17288070 0.97 TSHR (0.41)
Hydrochloric Acid SCHEMBL3198552 0.97
SCHEMBL3043105 0.97 TSHR (0.41)
SCHEMBL30087352 0.97 TSHR (0.41)
SCHEMBL491716 0.97 TSHR (0.41)
Hydrochloric Acid SCHEMBL8788527 0.94 USP2 (0.39)
Hydrochloric Acid SCHEMBL57599 0.94 USP2 (0.39)
Hydrochloric Acid SCHEMBL491971 0.94 USP2 (0.39)
Hydrochloric Acid SCHEMBL12483735 0.94 USP2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435280-B2 Crude oil demulsifier compositions and uses thereof ECOLAB USA INC. (US) 2025-10-07 US claimed
EP-4381038-A1 SUGAR/GLUCONOAMIDE ALKOXYLATE COMPOSITIONS AND USES THEREOF Ecolab USA Inc. (US) 2024-06-12 EP claimed
EP-4326837-A1 ASPHALTENE AND PARAFFIN DISPERSANT COMPOSITIONS AND USES THEREOF ECOLAB USA INC. (US) 2024-02-28 EP claimed
WO-2023014952-A1 SUGAR/GLUCONOAMIDE ALKOXYLATE COMPOSITIONS AND USES THEREOF ECOLAB USA INC. (US) 2023-02-09 WO claimed
US-20220364000-A1 CRUDE OIL DEMULSIFIER COMPOSITIONS AND USES THEREOF ECOLAB USA INC. (US) 2022-11-17 US claimed
US-20220364002-A1 ASPHALTENE AND PARAFFIN DISPERSANT COMPOSITIONS AND USES THEREOF ECOLAB USA INC. (US) 2022-11-17 US claimed
WO-2022225842-A1 ASPHALTENE AND PARAFFIN DISPERSANT COMPOSITIONS AND USES THEREOF ECOLAB USA INC. (US) 2022-10-27 WO claimed
US-9932335-B2 Pyrrolopyridine or pyrazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2018-04-03 US claimed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP claimed
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US claimed
US-20160194321-A1 PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-07 US claimed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
US-20260015553-A1 SUGAR/GLUCONOAMIDE ALKOXYLATE COMPOSITIONS AND USES THEREOF ECOLAB USA INC (US) 2026-01-15 US disclosed
WO-2005076783-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-25 WO disclosed
US-4017539-A Biguanide compounds and anti-diabetic compositions BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-04-12 US disclosed