SCHEMBL7320198

SCHEMBL7320198

CC1C=CC(Br)CC1

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
SCHEMBL789169 0.80
SCHEMBL790463 0.80
SCHEMBL15064155 0.80
SCHEMBL790491 0.80
SCHEMBL3696578 0.80
SCHEMBL19730165 0.73
SCHEMBL18902422 0.69 POLB (0.33)
SCHEMBL14629631 0.69 POLB (0.33)
SCHEMBL11288135 0.67
SCHEMBL11287030 0.67 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160208101-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2016-07-21 US disclosed
US-9040563-B2 Dual inhibitors of farnesyltransferase and geranylgeranyltransferase I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-05-26 US disclosed
US-20140288323-A1 CYCLOPROPENIMINE CATALYST COMPOSITIONS AND PROCESSES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-25 US disclosed
US-5288731-A Antiemetics, antiserotonine agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-02-22 US disclosed
US-5246942-A Central nervous system, anti-emetic and gastric prokinetic activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-09-21 US disclosed
EP-0494140-A4 DIBENZOFURANCARBOXAMIDES 1992-09-02 EP disclosed
EP-0494140-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-07-15 EP disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 WO disclosed
WO-1991004738-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-04-18 WO disclosed
US-4959485-A 5-HT3 ANTAGONISTS RORER PHARMACEUTICAL CORPORATION (US) 1990-09-25 US disclosed
WO-1989010364-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-11-02 WO disclosed
EP-0339950-A2 Dibenzofurancarboxamides, their use as pharmaceutical agents, a composition containing the same, and a process for the preparation thereof RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-11-02 EP disclosed
US-4863921-A Dibenzofurancarboxamides and their pharmaceutical compositions and methods RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed