SCHEMBL4448067

SCHEMBL4448067

CC1=C(C)CC(C)(C)C[CH]1

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
SCHEMBL13857908 0.67 ALDH1A1 (0.39)
SCHEMBL21957678 0.66
SCHEMBL10992661 0.65
SCHEMBL10992655 0.65
SCHEMBL10992656 0.65
SCHEMBL8878505 0.61
SCHEMBL16572379 0.60 HSD11B1 (0.38)
SCHEMBL4619361 0.58
SCHEMBL11934162 0.58 MAOA (0.43)
SCHEMBL318228 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255384-A1 AQUEOUS HAIR CONDITIONER COMPOSITIONS CONTAINING SOLUBILIZED ANTI-DANDRUFF ACTIVES The Procter & Gamble Company (US) 2023-10-11 EP disclosed
WO-2022119783-A1 AQUEOUS HAIR CONDITIONER COMPOSITIONS CONTAINING SOLUBILIZED ANTI-DANDRUFF ACTIVES THE PROCTER & GAMBLE COMPANY (US) 2022-06-09 WO disclosed
EP-3389733-A1 COMPOSITIONS, DELIVERY SYSTEMS AND REFILLS FOR EMITTING TWO OR MORE COMPOSITIONS S.C. Johnson & Son, Inc. (US) 2018-10-24 EP disclosed
WO-2017105725-A1 COMPOSITIONS, DELIVERY SYSTEMS AND REFILLS FOR EMITTING TWO OR MORE COMPOSITIONS S. C. JOHNSON & SON, INC. (US) 2017-06-22 WO disclosed
WO-2012162331-A2 COMPOSITIONS COMPRISING AN EFFICIENT PERFUME BLOOM THE PROCTER & GAMBLE COMPANY (US) 2012-11-29 WO disclosed
EP-2114331-A2 PERSONAL CARE PRODUCT COMPRISING CYCLODEXTRIN AS FRGRANCE-COMPLEXING MATERIAL The Procter and Gamble Company (US) 2009-11-11 EP disclosed
WO-2008104960-A2 PERSONAL CARE PRODUCT COMPRISING CYCLODEXTRIN AS FRGRANCE- COMPLEXING MATERIAL THE PROCTER & GAMBLE COMPANY (US) 2008-09-04 WO disclosed
EP-1890770-A2 PERSONAL CARE COMPOSITION COMPRISING A PERFUME BOOSTER ACCORD The Procter and Gamble Company (US) 2008-02-27 EP disclosed
WO-2006138726-A2 PERSONAL CARE COMPOSITION COMPRISING A PERFUME BOOSTER ACCORD THE PROCTER & GAMBLE COMPANY (US) 2006-12-28 WO disclosed