SCHEMBL26565993

SCHEMBL26565993

C[C@H](NCC(=O)[C@@H]1C[C@@H](OC(=O)OC(C(=O)N2CCN(C)CC2)c2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C3(C(=O)NCCCCCN4C(=O)C=CC4=O)CCC3)cc2)CN1)c1ccc(C#N)cc1

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
SCHEMBL26557647 0.94 — —
SCHEMBL29362856 0.94 — —
Trifluoroacetic Acid SCHEMBL29360614 0.91 — —
SCHEMBL25230646 0.86 — —
SCHEMBL25230634 0.86 — —
SCHEMBL25230638 0.86 — —
SCHEMBL26565879 0.86 — —
SCHEMBL26557655 0.85 KDM1A (0.32) —
SCHEMBL25205716 0.84 — —
SCHEMBL29359451 0.84 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330249-A1 ANTIBODY-CONJUGATED CHEMICAL INDUCERS OF DEGRADATION OF BRM AND METHODS THEREOF GENENTECH, INC. (US) 2023-10-19 — — US disclosed
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