SCHEMBL18177130

SCHEMBL18177130

CC(C)(C)NC(C(=O)C(C)(C)C)C(C)(C)SC(C)(C)C

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
SCHEMBL18177132 1.00
SCHEMBL19682198 0.82
SCHEMBL16501774 0.76 L3MBTL1 (0.30)
SCHEMBL13967018 0.76 L3MBTL1 (0.30)
SCHEMBL19730344 0.74
SCHEMBL19682054 0.68 ALDH1A1 (0.33)
SCHEMBL17662565 0.67 MMP8 (0.32)
SCHEMBL13166782 0.66 L3MBTL1 (0.32)
SCHEMBL14010448 0.64 SLC6A3 (0.42)
SCHEMBL18653492 0.64 SLC6A3 (0.42)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226320-A1 DRUG CONJUGATES WITH SELF-STABILIZING LINKERS HAVING IMPROVED PHYSIOCHEMICAL PROPERTIES SEAGEN INC (US) 2024-07-11 US disclosed
US-20240226320-A1 DRUG CONJUGATES WITH SELF-STABILIZING LINKERS HAVING IMPROVED PHYSIOCHEMICAL PROPERTIES SEAGEN INC (US) 2024-07-11 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
US-20190314519-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2019-10-17 US disclosed
US-20190167806-A1 DRUG CONJUGATES WITH SELF-STABILIZING LINKERS HAVING IMPROVED PHYSIOCHEMICAL PROPERTIES SEATTLE GENETICS, INC. (US) 2019-06-06 US disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
US-20160310612-A1 PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS SEATTLE GENETICS, INC. (US) 2016-10-27 US disclosed