SCHEMBL600244

SCHEMBL600244

C#CC(C)NCC(=O)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
SCHEMBL20377969 1.00
SCHEMBL20377961 1.00
SCHEMBL6295439 0.77
Hydrochloric Acid SCHEMBL7022020 0.76 ALDH1A1 (0.38)
SCHEMBL28911571 0.75 ACHE (0.30)
SCHEMBL468462 0.74 CTH (0.34)
SCHEMBL18422852 0.74 ALDH1A1 (0.36)
SCHEMBL7361490 0.73
SCHEMBL161143 0.72
SCHEMBL8768901 0.71 CYP2D6 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024264025-A2 THERAPEUTIC TARGETING OF HYPDH/PRODH2 AND PRODH1 TO SUPPRESS 4-HYDROXYPROLINE AND PROLINE CATABOLISM BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2024-12-26 WO claimed
EP-3328877-B1 PEPTOID THE UNIV OF DURHAM (GB) 2022-08-24 EP claimed
US-20180201647-A1 Peptoid THE UNIVERSITY OF DURHAM (GB) 2018-07-19 US claimed
WO-2024264025-A2 THERAPEUTIC TARGETING OF HYPDH/PRODH2 AND PRODH1 TO SUPPRESS 4-HYDROXYPROLINE AND PROLINE CATABOLISM BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2024-12-26 WO disclosed
EP-3328877-B1 PEPTOID THE UNIV OF DURHAM (GB) 2022-08-24 EP disclosed
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2019-09-26 US disclosed
US-20190225650-A1 PEPTIDOMIMETIC MACROCYCLES AND USE THEREOF IN REGULATING HIF1ALPHA AILERON THERAPEUTICS, INC. 2019-07-25 US disclosed
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. 2019-06-20 US disclosed
US-10308699-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-06-04 US disclosed
US-10300109-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-10246491-B2 Peptidomimetic macrocycles and use thereof in regulating HIF1alpha AILERON THERAPEUTICS, INC. (US) 2019-04-02 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
EP-2114428-A2 TRIAZOLE MACROCYCLE SYSTEMS Aileron Therapeutics, Inc. (US) 2009-11-11 EP disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
WO-2009126292-A2 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-10-15 WO disclosed
WO-2009099677-A2 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20080262200-A1 Triazole Macrocycle Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2008-10-23 US disclosed
WO-2008104000-A2 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2008-08-28 WO disclosed
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed