SCHEMBL82645

SCHEMBL82645

[c]1cccc2nnccc12

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
SCHEMBL17511875 0.75 GPR3 (0.35) —
SCHEMBL17511851 0.75 ALDH1A1 (0.34) —
SCHEMBL525029 0.74 ALDH1A1 (0.33) —
SCHEMBL3835467 0.72 — —
SCHEMBL18594 0.71 ALDH1A1 (0.44) —
SCHEMBL452564 0.70 — —
SCHEMBL80737 0.68 GPR3 (0.35) —
SCHEMBL452229 0.68 — —
SCHEMBL3934900 0.68 — —
SCHEMBL1744596 0.67 KDM4E (0.43) —

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 1292 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 — — EP claimed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 — — EP claimed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 — — WO claimed
EP-1506166-B1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 — — EP claimed
WO-2011131712-A1 METAL HYBRID COMPOSITE CASTING Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2011-10-27 — — WO claimed
JP-2011526291-A — — 2011-10-06 — — JP claimed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 — — EP claimed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 — — US claimed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 — — EP claimed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 — — US claimed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 — — US claimed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 — — WO claimed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 — — EP claimed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 — — US claimed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 — — WO claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 — — EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 — — US claimed
EP-0822187-A1 PYRAZOLE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-02-04 — — EP claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 — — EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 — — WO claimed
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