SCHEMBL48705

SCHEMBL48705

N=C=O.N=C=O.O=C=NCC1(CN=C=O)CCCCC1

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
Cyclohexane SCHEMBL5450052 1.00
SCHEMBL112830 0.93 ALDH1A1 (0.32)
SCHEMBL9796432 0.86
Cyclohexane SCHEMBL5495897 0.86 ALDH1A1 (0.32)
SCHEMBL1758459 0.86 ALDH1A1 (0.32)
SCHEMBL2641676 0.84 ALDH1A1 (0.30)
SCHEMBL9284091 0.84
SCHEMBL7650373 0.83
Alcohol SCHEMBL8653858 0.83 ALDH1A1 (0.31)
Cyclohexane SCHEMBL5504152 0.82 ALDH1A1 (0.34)

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 1137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662263-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANES, AND METHODS OF MAKING AND USING THE SAME Ingevity UK Ltd (GB) 2025-12-17 EP claimed
EP-4638625-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2025-10-29 EP claimed
US-20250243313-A1 POLYCAPROLACTONE POLYOLS, ELASTOMERS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-31 US claimed
US-20250230274-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 US claimed
WO-2025149744-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANE DISPERSIONS, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2025-07-17 WO claimed
EP-4446354-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2024-10-16 EP claimed
US-20240287363-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANES, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK LTD (GB) 2024-08-29 US claimed
WO-2024165215-A1 POLYCAPROLACTONE POLYOLS, POLYURETHANES, AND METHODS OF MAKING AND USING THE SAME INGEVITY UK, LTD. (GB) 2024-08-15 WO claimed
EP-4396258-A1 BIO-BASED RESIN, CURABLE COMPOSITION AND POLYURETHANE BASED THEREON, AND RELATED METHODS Ingevity South Carolina, LLC (US) 2024-07-10 EP claimed
WO-2024137498-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2024-06-27 WO claimed
US-7131915-B2 Three-layer-cover golf ball ACUSHNET COMPANY (US) 2006-11-07 US claimed
WO-2006023790-A1 CURABLE THIOCARBONATE COMPOUNDS AND COMPOSITIONS NOVEON, INC. (US) 2006-03-02 WO claimed
WO-2006020281-A1 POLYURETHANES AND URETHANE ACRYLICS MADE FROM HYDROXYL-TERMINATED THIOCARBONATE CONTAINING COMPOUNDS NOVEON, INC. (US) 2006-02-23 WO claimed
US-20060017201-A1 Method for molding castable light stable polyurethane and polyurea golf balls ACUSHNET COMPANY 2006-01-26 US claimed
US-6867279-B2 Golf ball comprising saturated polyurethanes and methods of making the same ACUSHNET COMPANY (US) 2005-03-15 US claimed
US-6835794-B2 Durability, efficiency ACUSHNET COMPANY 2004-12-28 US claimed
US-20040235587-A1 Three-layer-cover golf ball JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-25 US claimed
US-6610812-B1 Acid functional group based on a carboxylic, sulfonic or phosphonic acid ACUSHNET COMPANY 2003-08-26 US claimed
US-20030096936-A1 Golf balls comprising light stable materials and methods of making the same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2003-05-22 US claimed
US-20030088048-A1 Golf ball comprising saturated polyurethanes and methods of making the same JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2003-05-08 US claimed