SCHEMBL5745247

SCHEMBL5745247

C1=CC2=C3NCCCC3CCC2NC1

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
SCHEMBL2257053 0.67 CHRNB2 (0.30)
SCHEMBL15418077 0.66
SCHEMBL16876908 0.65
SCHEMBL6436309 0.61
SCHEMBL9593266 0.61
SCHEMBL6444310 0.60
SCHEMBL11644118 0.59
SCHEMBL1770476 0.58
SCHEMBL11101407 0.57
SCHEMBL14229985 0.56 HTR2A (0.30)

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-1394156-B1 CHROMENE COMPOUND TOKUYAMA CORP (JP) 2006-07-12 EP disclosed
US-7048876-B2 Photochromic compound exhibits absorption bands in two wavelength regions of 440 to 500 nm and 570 to 630 nm. TOKUYAMA CORPORATION (JP) 2006-05-23 US disclosed
US-6875878-B2 Reverse color when radiated with light TOKUYAMA CORPORATION (JP) 2005-04-05 US disclosed
US-20040242856-A1 Reverse color when radiated with light TOKUYAMA CORPORATION (JP) 2004-12-02 US disclosed
EP-1445257-A1 CHROMENE COMPOUND Tokuyama Corporation (JP) 2004-08-11 EP disclosed
US-20040094753-A1 Chromene compound TOKUYAMA CORPORATION (JP) 2004-05-20 US disclosed
EP-1394156-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2004-03-03 EP disclosed