SCHEMBL2449752

SCHEMBL2449752

[CH2]c1cccc2c1COO2

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
SCHEMBL11104048 0.74 MAP3K14 (0.35)
SCHEMBL10581993 0.74 BCL2L1 (0.38)
SCHEMBL1172294 0.74 CYP3A4 (0.33)
SCHEMBL6076550 0.66 ALDH1A1 (0.34)
SCHEMBL292330 0.65 ITGB2 (0.42)
SCHEMBL9298451 0.64 TSHR (0.35)
SCHEMBL9390212 0.63 KDM4E (0.47)
SCHEMBL730025 0.62
SCHEMBL29386319 0.62
SCHEMBL6093132 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364982-A1 Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof ONO Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
US-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1621540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP disclosed