SCHEMBL31246023

SCHEMBL31246023

CN1C=C2NCC=C2C(c2cc(C(C)(C)O)ccc2OC2CC(N(C)CCN3CCNCC3)C2)=C1

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
SCHEMBL31246021 0.79 UTS2R (0.35) —
SCHEMBL31245971 0.73 BRD4 (0.48) —
SCHEMBL31246014 0.68 BRD4 (0.42) —
SCHEMBL30824826 0.61 UTS2R (0.34) —
SCHEMBL27391581 0.61 UTS2R (0.34) —
SCHEMBL24319841 0.61 ALDH1A1 (0.35) —
SCHEMBL30824784 0.61 BRD4 (0.51) —
SCHEMBL27391659 0.61 BRD4 (0.51) —
SCHEMBL30812291 0.54 ALDH1A1 (0.36) —
SCHEMBL30812271 0.54 ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702022-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE Halda Therapeutics Opco, Inc. (US) 2026-03-04 — — EP disclosed
WO-2024211684-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-10-10 — — WO disclosed
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