SCHEMBL1801684

SCHEMBL1801684

CC#CCCBr

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
SCHEMBL14964624 0.82
SCHEMBL14964575 0.82
SCHEMBL14964655 0.82
SCHEMBL3843193 0.80
SCHEMBL3849723 0.78
SCHEMBL1803958 0.78
SCHEMBL233379 0.76
SCHEMBL9786005 0.76
SCHEMBL10864588 0.76 RAB9A (0.35)
SCHEMBL1524226 0.76 RAB9A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968576-B1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF THE FLORIDA STATE UNIV RESEARCH FOUNDATION INCORPORATED (US) 2018-07-04 EP claimed
EP-3194418-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF Prevacus Inc. (US) 2017-07-26 EP claimed
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP claimed
US-20160168188-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS, INC. 2016-06-16 US claimed
US-20160108081-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2016-04-21 US claimed
WO-2016044558-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS, INC. (US) 2016-03-24 WO claimed
US-20160016988-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF UNIV FLORIDA STATE RES FOUND (US) 2016-01-21 US claimed
EP-2968576-A2 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF The Florida State University Research Foundation Inc. (US) 2016-01-20 EP claimed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO claimed
US-20140275572-A1 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF PREVACUS INC (US) 2014-09-18 US claimed
WO-2014145302-A2 SYNTHESIS OF ENT-PROGESTERONE AND INTERMEDIATES THEREOF THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-09-18 WO claimed
EP-4719386-A2 5,6 SATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 Merck Sharp & Dohme LLC (US) 2026-04-08 EP disclosed
EP-4652171-A1 TOTAL SYNTHESES OF PORTIMINE A AND ANALOGUES THEREOF AS SMALL MOLECULE MODULATORS OF NMD3 The Scripps Research Institute (US) 2025-11-26 EP disclosed
WO-2024249539-A1 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-12-05 WO disclosed
US-20240400571-A1 5,6 UNSATURATED BICYCLIC HETEROCYLES USEFUL AS INHIBITORS OF NOD-LIKE RECEPTOR PROTEIN 3 MERCK SHARP & DOHME LLC (US) 2024-12-05 US disclosed
EP-0141608-A2 Pyrazolopyridine cycloalkanone derivatives ICI AMERICAS INC. (US) 1985-05-15 EP disclosed
EP-0096995-A2 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-12-28 EP disclosed
US-4189431-A CYCLIZATION OF POLYENINE TO POLYCYCLIC COMPOUND HAVING CYCLOPENTANO RING The Board of Trustees of Leland Stanford Junior University (US) 1980-02-19 US disclosed
US-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 US disclosed
US-4055603-A HORMONES THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-10-25 US disclosed