SCHEMBL771053

SCHEMBL771053

[CH2]CC(CC)[N+](=O)[O-]

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
SCHEMBL1170405 0.83
SCHEMBL2799546 0.80
SCHEMBL2801476 0.80
SCHEMBL10727564 0.76
SCHEMBL10343061 0.75 ALDH1A1 (0.40)
SCHEMBL10800089 0.75 ALDH1A1 (0.37)
SCHEMBL27705224 0.75 ALDH1A1 (0.32)
SCHEMBL11086030 0.74
SCHEMBL29898494 0.74
SCHEMBL8374965 0.74

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-5604294-A IMMUNOSUPRESSIVE, ANTIMICROBIAL, ANTIFUNGAL, ANTIVIRAL, ANTI-INFLAMMATORY AND ANTIPROLIFERATIVE ACTIVITY ABBOTT LABORATORIES 1997-02-18 US claimed
WO-1994021635-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO claimed
US-8404860-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2013-03-26 US disclosed
US-8394573-B2 Photoresist compositions and methods for shrinking a photoresist critical dimension INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-03-12 US disclosed
US-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME SHIIGI HIROFUMI (JP) 2012-11-15 US disclosed
US-8258313-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2012-09-04 US disclosed
US-20120070787-A1 PHOTORESIST COMPOSITIONS AND METHODS FOR SHRINKING A PHOTORESIST CRITICAL DIMENSION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-22 US disclosed
US-20100184993-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2010-07-22 US disclosed
EP-2172459-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME Tokuyama Corporation (JP) 2010-04-07 EP disclosed
US-5604294-A IMMUNOSUPRESSIVE, ANTIMICROBIAL, ANTIFUNGAL, ANTIVIRAL, ANTI-INFLAMMATORY AND ANTIPROLIFERATIVE ACTIVITY ABBOTT LABORATORIES 1997-02-18 US disclosed
WO-1994021635-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
US-4496683-A INCREASED SCORCH DELAY, FASTER CURE RATE AND IMPROVED REVERSION RESISTANCE MONSANTO COMPANY (US) 1985-01-29 US disclosed
EP-0104157-A1 Rubber compositions containing a vulcanization system alterative Monsanto Company (US) 1984-03-28 EP disclosed