SCHEMBL31498522

SCHEMBL31498522

C=C(CCl)C[C@@]1(C(=O)OC)CC(=C)CN1

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
SCHEMBL27158804 1.00
SCHEMBL31005851 0.86 ATM (0.33)
SCHEMBL27159076 0.83
Hydrochloric Acid SCHEMBL27158940 0.81
SCHEMBL24649284 0.78
SCHEMBL29125157 0.72
SCHEMBL29230519 0.72
SCHEMBL31239968 0.72
SCHEMBL29977229 0.72
SCHEMBL24697525 0.72

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-4640684-A1 KRAS G12D INHIBITORS AND USES THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2025-10-29 EP disclosed
CN-119894891-A KRAS G12D inhibitor and application thereof 上海和誉生物医药科技有限公司 2025-04-25 CN disclosed